4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

C17H14N4O2S — CID 25227548

IUPAC4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-21(20-17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
InChIKeyJINQUNXXILDVNV-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.37
Rot. Bonds3

About 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 25227548) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID25227548
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C#N)cc1
InChIInChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-21(20-17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
InChIKeyJINQUNXXILDVNV-UHFFFAOYSA-N
XLogP2.37
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 25227548) is 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2C#N)cc1.
What is the InChIKey of 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JINQUNXXILDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-21(20-17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23).
What are the key properties of 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 25227548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).