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

C11H9ClN4O2S — CID 104620941

IUPAC2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H9ClN4O2S/c1-7-6-14-15-11(7)16-19(17,18)10-4-8(5-13)2-3-9(10)12/h2-4,6H,1H3,(H2,14,15,16)
InChIKeyRCFBPSVYUAFNNR-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.04
Rot. Bonds3

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

2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104620941) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104620941
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H9ClN4O2S/c1-7-6-14-15-11(7)16-19(17,18)10-4-8(5-13)2-3-9(10)12/h2-4,6H,1H3,(H2,14,15,16)
InChIKeyRCFBPSVYUAFNNR-UHFFFAOYSA-N
XLogP2.04
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
CID 80703861
2,5-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzenesulfonamide
CID 79503678
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)-5-nitrobenzenesulfonamide
CID 79497162
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104620941) is 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is RCFBPSVYUAFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-7-6-14-15-11(7)16-19(17,18)10-4-8(5-13)2-3-9(10)12/h2-4,6H,1H3,(H2,14,15,16).
What are the key properties of 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 296.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104620941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).