3-(benzenesulfonyl)-N-benzylpropanamide

C16H17NO3S — CID 7202624

IUPAC3-(benzenesulfonyl)-N-benzylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(17-13-14-7-3-1-4-8-14)11-12-21(19,20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeyTWKDDNZOGNIGPL-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.17
Rot. Bonds6

About 3-(benzenesulfonyl)-N-benzylpropanamide

3-(benzenesulfonyl)-N-benzylpropanamide (PubChem CID 7202624) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-benzylpropanamide
PubChem CID7202624
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-(benzenesulfonyl)-N-benzylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-16(17-13-14-7-3-1-4-8-14)11-12-21(19,20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)
InChIKeyTWKDDNZOGNIGPL-UHFFFAOYSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-N-benzylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 846551
CID 846551
CID 846429
CID 846429
CID 2889950
CID 2889950
CID 562133
CID 562133
CID 23643986
CID 23643986
CID 817430
CID 817430
CID 846869
CID 846869
CID 881507
CID 881507
CID 2228178
CID 2228178
CID 2357308
CID 2357308
CID 2889783
CID 2889783
CID 2977027
CID 2977027

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-benzylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-benzylpropanamide (CID 7202624) is 3-(benzenesulfonyl)-N-benzylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-benzylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-benzylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-benzylpropanamide?
The InChIKey is TWKDDNZOGNIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-13-14-7-3-1-4-8-14)11-12-21(19,20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-benzylpropanamide?
3-(benzenesulfonyl)-N-benzylpropanamide has a molecular weight of 303.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-benzylpropanamide is sourced from PubChem (CID 7202624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).