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

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

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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

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Pyrroles

[1551432-13-3]C14H16N6
3,6-Bis(2,4-dimethyl-1-pyrrolyl)-1,2,4,5-tetrazine
[2368945-96-2]C9H8BrN3O
N-(3-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
[473401-82-0]C13H17NO6
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[73286-70-1]C9H15NO2
N-Boc-2,5-dihydro-1H-pyrrole
[1706469-32-0]C10H8N2O2
5-(pyridin-2-yl)-1H-pyrrole-2-carboxylic acid
[30186-41-5]C11H8N2O3
1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde

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

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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

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