5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

C13H11ClN4O2S — CID 91629173

IUPAC5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C13H11ClN4O2S/c1-9-2-3-10(14)6-12(9)21(19,20)17-11-7-15-13-4-5-16-18(13)8-11/h2-8,17H,1H3
InChIKeyGNIWPXMIIOHOAJ-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.49
Rot. Bonds3

About 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide

5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (PubChem CID 91629173) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
PubChem CID91629173
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccnn2c1
InChIInChI=1S/C13H11ClN4O2S/c1-9-2-3-10(14)6-12(9)21(19,20)17-11-7-15-13-4-5-16-18(13)8-11/h2-8,17H,1H3
InChIKeyGNIWPXMIIOHOAJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridin-3-yl)-4-chlorobenzenesulfonamide
CID 42623385
N-(5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125256
5-chloro-2-cyano-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537545
4-[[[3-(4-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 44530409
N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 53387410
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-3-cyano-N-methylbenzenesulfonamide
CID 122188256
N-[(E)-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-5-cyano-N,2-dimethylbenzenesulfonamide
CID 122188266
3-[6-chloro-2-methyl-8-[(2-methyl-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 134135057
3-[6-chloro-2-methyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 134138026
3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 134141075
3-[6-chloro-2-methyl-8-(pyridin-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 134142679
3-[6-chloro-8-[(2-ethyl-4-pyridinyl)methylamino]-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
CID 134155258

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide (CID 91629173) is 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccnn2c1.
What is the InChIKey of 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
The InChIKey is GNIWPXMIIOHOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-9-2-3-10(14)6-12(9)21(19,20)17-11-7-15-13-4-5-16-18(13)8-11/h2-8,17H,1H3.
What are the key properties of 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide?
5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzenesulfonamide is sourced from PubChem (CID 91629173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).