2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide

C10H6Cl2N4O2S — CID 79503678

IUPAC2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H6Cl2N4O2S/c11-7-1-2-8(12)9(3-7)19(17,18)16-10-6(4-13)5-14-15-10/h1-3,5H,(H2,14,15,16)
InChIKeyOYVDABSOCBZPJU-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.39
Rot. Bonds3

About 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide

2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 79503678) has the molecular formula C10H6Cl2N4O2S and a molecular weight of 317.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID79503678
Molecular FormulaC10H6Cl2N4O2S
Molecular Weight317.16 g/mol
Exact Mass315.96
IUPAC Name2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
SMILESN#Cc1cn[nH]c1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H6Cl2N4O2S/c11-7-1-2-8(12)9(3-7)19(17,18)16-10-6(4-13)5-14-15-10/h1-3,5H,(H2,14,15,16)
InChIKeyOYVDABSOCBZPJU-UHFFFAOYSA-N
XLogP2.39
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
5-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzenesulfonamide
CID 25039217
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 79497167
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
6-cyano-N-(4-cyano-1H-pyrazol-5-yl)pyridine-3-sulfonamide
CID 115897741
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379969
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide (CID 79503678) is 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide is N#Cc1cn[nH]c1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is OYVDABSOCBZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2S/c11-7-1-2-8(12)9(3-7)19(17,18)16-10-6(4-13)5-14-15-10/h1-3,5H,(H2,14,15,16).
What are the key properties of 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide?
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 317.16 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 79503678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).