N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C16H14ClN3O2S — CID 20914766

IUPACN-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-12-3-4-13(17)11-16(12)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyCLGJTZZTTASEQX-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.63
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914766) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914766
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-12-3-4-13(17)11-16(12)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3
InChIKeyCLGJTZZTTASEQX-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 9865808
N-(3-chloro-4-methylphenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6465101
4-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9800211
4-(4-Chloro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9880758
4-(4-Chloro-3-methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10497881
4-[4-Bromo-5-(4-chloro-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 10669397
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-ethyl-N-(3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022080
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N-(2-ethyl-6-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022099
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914766) is N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is CLGJTZZTTASEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-12-3-4-13(17)11-16(12)19-23(21,22)15-7-5-14(6-8-15)20-10-2-9-18-20/h2-11,19H,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).