2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H12ClN3O2S — CID 63823361

IUPAC2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-7-3-4-10(9(12)5-7)18(16,17)15-11-6-8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyWMXTYKPIJVDHFR-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 63823361) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID63823361
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-7-3-4-10(9(12)5-7)18(16,17)15-11-6-8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyWMXTYKPIJVDHFR-UHFFFAOYSA-N
XLogP2.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63821892
2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028876
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 113456936
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 63823361) is 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)[nH]n2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is WMXTYKPIJVDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-7-3-4-10(9(12)5-7)18(16,17)15-11-6-8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).