5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C11H9ClN4O2S — CID 61284926

IUPAC5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H9ClN4O2S/c12-9-2-1-8(6-13)11(5-9)19(17,18)15-7-10-3-4-14-16-10/h1-5,15H,7H2,(H,14,16)
InChIKeyHPFFOLHHQPIAMQ-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.41
Rot. Bonds4

About 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 61284926) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID61284926
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H9ClN4O2S/c12-9-2-1-8(6-13)11(5-9)19(17,18)15-7-10-3-4-14-16-10/h1-5,15H,7H2,(H,14,16)
InChIKeyHPFFOLHHQPIAMQ-UHFFFAOYSA-N
XLogP1.41
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
3-fluoro-4-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
CID 79187222
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126720
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
6-chloro-2-oxo-N-(1H-pyrazol-5-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 61283170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 61284926) is 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is HPFFOLHHQPIAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-9-2-1-8(6-13)11(5-9)19(17,18)15-7-10-3-4-14-16-10/h1-5,15H,7H2,(H,14,16).
What are the key properties of 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 296.74 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61284926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).