3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide

C15H14BrNO3S — CID 7202615

IUPAC3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO3S/c16-12-6-8-13(9-7-12)17-15(18)10-11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyKAZLTDWKDGSJHW-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.25
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide

3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide (PubChem CID 7202615) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
PubChem CID7202615
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO3S/c16-12-6-8-13(9-7-12)17-15(18)10-11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)
InChIKeyKAZLTDWKDGSJHW-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide 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

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 4075609
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide (CID 7202615) is 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide?
The InChIKey is KAZLTDWKDGSJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c16-12-6-8-13(9-7-12)17-15(18)10-11-21(19,20)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide?
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide has a molecular weight of 368.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 7202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).