3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide

C15H12BrClFNO3S — CID 4089356

IUPAC3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12BrClFNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-11-3-6-14(18)13(17)9-11/h1-6,9H,7-8H2,(H,19,20)
InChIKeyHZUALTWINOLANI-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.04
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 4089356) has the molecular formula C15H12BrClFNO3S and a molecular weight of 420.69 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID4089356
Molecular FormulaC15H12BrClFNO3S
Molecular Weight420.69 g/mol
Exact Mass418.94
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12BrClFNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-11-3-6-14(18)13(17)9-11/h1-6,9H,7-8H2,(H,19,20)
InChIKeyHZUALTWINOLANI-UHFFFAOYSA-N
XLogP4.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)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-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide (CID 4089356) is 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is HZUALTWINOLANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-11-3-6-14(18)13(17)9-11/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 420.69 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 4089356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).