4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C17H17N3O2S — CID 2815267

IUPAC4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-13-8-10-15(11-9-13)23(21,22)19-17-12-16(18-20(17)2)14-6-4-3-5-7-14/h3-12,19H,1-2H3
InChIKeyKTIXPJNQNDXBFM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.20
Rot. Bonds4

About 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 2815267) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID2815267
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C17H17N3O2S/c1-13-8-10-15(11-9-13)23(21,22)19-17-12-16(18-20(17)2)14-6-4-3-5-7-14/h3-12,19H,1-2H3
InChIKeyKTIXPJNQNDXBFM-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 2815267) is 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1.
What is the InChIKey of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is KTIXPJNQNDXBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-8-10-15(11-9-13)23(21,22)19-17-12-16(18-20(17)2)14-6-4-3-5-7-14/h3-12,19H,1-2H3.
What are the key properties of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2815267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).