1-(Phenylsulfonyl)pyrrole - CAS 16851-82-4

Catalog:	BB012476
Product Name:	1-(Phenylsulfonyl)pyrrole
CAS:	16851-82-4
Synonyms:	1-(benzenesulfonyl)pyrrole

Technical Data

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Computed Properties

IUPAC Name:	1-(benzenesulfonyl)pyrrole
Description:	1-(Phenylsulfonyl)pyrrole (CAS# 16851-82-4) is a useful research chemical.
Molecular Weight:	207.25
Molecular Formula:	C10H9NO2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
InChI:	InChI=1S/C10H9NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9H
InChI Key:	PPPXRIUHKCOOMU-UHFFFAOYSA-N
Boiling Point:	368.9 °C at 760 mmHg
Melting Point:	88-91 °C (lit.)
Purity:	95 %
Density:	1.23 g/cm³
Appearance:	Beige to light brown crystals or cryst. powder
MDL:	MFCD00067739
LogP:	2.80590

Publication Number	Title	Priority Date
WO-2021100699-A1	Black particles, black coating material, coating film, and black matrix for color filters	20191118
WO-2021097057-A1	5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity	20191112
CN-109942543-A	A kind of synthetic method of moxifloxacin hydrochloride light degradation impurity	20190416
TW-202028196-A	Novel oxadiazoles	20181001
WO-2019220125-A1	Antibacterial compounds	20180516

PMID	Publication Date	Title	Journal
19143528	20090212	Novel heteroaromatic organofluorine inhibitors of fructose-1,6-bisphosphatase	Journal of medicinal chemistry
14723551	20040122	Magnesiation employing Grignard reagents and catalytic amine. Application to the functionalization of N-phenylsulfonylpyrrole	Organic letters

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Pyrroles

[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[433267-55-1]
Ethyl 4-bromopyrrole-2-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.03539970
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.03539970
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9