3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide

C15H16N2O3S — CID 3163451

IUPAC3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyBZXRGSJJFAACGP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.19
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide

3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 3163451) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID3163451
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18)
InChIKeyBZXRGSJJFAACGP-UHFFFAOYSA-N
XLogP2.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide 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 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide (CID 3163451) is 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is BZXRGSJJFAACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-7-9-16-14(11-12)17-15(18)8-10-21(19,20)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3163451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).