1H-Pyrazole-4-sulfonyl chloride - CAS 288148-34-5

Catalog:	BB019964
Product Name:	1H-Pyrazole-4-sulfonyl chloride
CAS:	288148-34-5
Synonyms:	1-methylpyrazole-4-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methylpyrazole-4-sulfonyl chloride
Description:	1H-Pyrazole-4-sulfonyl chloride (CAS# 288148-34-5) is used as a reagent in the preparation of benzoindazoles as glucocorticoid receptor modulators.
Molecular Weight:	166.59
Molecular Formula:	C3H3ClN2O2S
Canonical SMILES:	CN1C=C(C=N1)S(=O)(=O)Cl
InChI:	InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChI Key:	RDAVKKQKMLINOH-UHFFFAOYSA-N
Boiling Point:	364.206 °C at 760 mmHg
Purity:	95 %
Density:	1.706 g/cm³
MDL:	MFCD04968667
LogP:	1.42840

Publication Number	Title	Priority Date
US-2021107901-A1	Bicyclic amines as cdk2 inhibitors	20191011
WO-2021072232-A1	Bicyclic amines as cdk2 inhibitors	20191011
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
US-2020347067-A1	Tricyclic amine compounds as cdk2 inhibitors	20190501

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Related Functional Groups

Pyrazoles

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol
[13206-50-3]
2-Isopropyl-5,5-dimethylthiazolidine-4-carbonitrile

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.9760263
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.9760263
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3