4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

C17H14N4O3S — CID 22315541

IUPAC4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(C#N)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-15-6-2-12(3-7-15)17-13(10-18)11-20-21(17)14-4-8-16(9-5-14)25(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
InChIKeyZREIACLUSMUHHS-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.07
Rot. Bonds4

About 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315541) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315541
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(C#N)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-15-6-2-12(3-7-15)17-13(10-18)11-20-21(17)14-4-8-16(9-5-14)25(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
InChIKeyZREIACLUSMUHHS-UHFFFAOYSA-N
XLogP2.07
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
1-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-phenylurea
CID 155815019
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
1-(4-methoxyphenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155815132
1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 1479393
5-amino-1-[4-(4-methylphenyl)sulfonylphenyl]pyrazole-4-carbonitrile
CID 2448280
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963
4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
CID 10734248
4-[5-(3-bromo-4-methoxyphenyl)-3-cyanopyrazol-1-yl]benzenesulfonamide
CID 22315357
1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
CID 15365439

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 22315541) is 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2c(C#N)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ZREIACLUSMUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-24-15-6-2-12(3-7-15)17-13(10-18)11-20-21(17)14-4-8-16(9-5-14)25(19,22)23/h2-9,11H,1H3,(H2,19,22,23).
What are the key properties of 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 354.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).