N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide

C10H7ClN4O2S — CID 54937392

IUPACN-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C10H7ClN4O2S/c11-10-3-8(2-1-7(10)4-12)15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14)
InChIKeyQSSFOXBOPSPKPI-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.74
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide

N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937392) has the molecular formula C10H7ClN4O2S and a molecular weight of 282.71 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937392
Molecular FormulaC10H7ClN4O2S
Molecular Weight282.71 g/mol
Exact Mass282.00
IUPAC NameN-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C10H7ClN4O2S/c11-10-3-8(2-1-7(10)4-12)15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14)
InChIKeyQSSFOXBOPSPKPI-UHFFFAOYSA-N
XLogP1.74
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
N-(6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 78945043
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
1-chloro-N-(3-chloro-4-cyanophenyl)methanesulfonamide
CID 63664296
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide (CID 54937392) is N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QSSFOXBOPSPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2S/c11-10-3-8(2-1-7(10)4-12)15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,(H,13,14).
What are the key properties of N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide?
N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 282.71 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).