4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide

C16H15N3O2S — CID 10519259

IUPAC4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
InChIKeyJSCDEHDFQMRWGN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.50
Rot. Bonds3

About 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide

4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 10519259) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID10519259
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
InChIKeyJSCDEHDFQMRWGN-UHFFFAOYSA-N
XLogP2.50
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide (CID 10519259) is 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide is Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is JSCDEHDFQMRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21).
What are the key properties of 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide?
4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 10519259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).