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

C16H15N3O2S — CID 2815271

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-19-16(12-15(17-19)13-8-4-2-5-9-13)18-22(20,21)14-10-6-3-7-11-14/h2-12,18H,1H3
InChIKeyUEBODCZKOQEBED-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.89
Rot. Bonds4

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

N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 2815271) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID2815271
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-19-16(12-15(17-19)13-8-4-2-5-9-13)18-22(20,21)14-10-6-3-7-11-14/h2-12,18H,1H3
InChIKeyUEBODCZKOQEBED-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 2815271) is N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is UEBODCZKOQEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-16(12-15(17-19)13-8-4-2-5-9-13)18-22(20,21)14-10-6-3-7-11-14/h2-12,18H,1H3.
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2815271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).