4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide

C11H9ClN4O2S — CID 106139096

IUPAC4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3
InChIKeyGAPZXBPSAVDELE-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.75
Rot. Bonds3

About 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106139096) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106139096
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3
InChIKeyGAPZXBPSAVDELE-UHFFFAOYSA-N
XLogP1.75
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6465101
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 84596640
1-ethyl-N-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 6469112
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 75478279
N-(3-chloro-4-cyanophenyl)-N,2-diethylpyrazole-3-sulfonamide
CID 121536754
N-(2,5-diethylphenyl)-2,4-dimethylpyrazole-3-sulfonamide
CID 136541830
1,4-dimethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-sulfonamide;formamide
CID 175177041
1-Methyl-4-(4-methylphenyl)-3-(4-methylphenyl)aminosulfonylpyrazole
CID 129871778
1-Methyl-4-phenyl-3-phenylaminosulfonylpyrazole
CID 129871868
1-ethyl-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 6465407
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
CID 22205860
N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774492

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide (CID 106139096) is 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is GAPZXBPSAVDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-16-11(10(12)7-14-16)19(17,18)15-9-4-2-8(6-13)3-5-9/h2-5,7,15H,1H3.
What are the key properties of 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 296.74 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).