4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride

C13H8BrClFNO3S — CID 43100929

IUPAC4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyOCSVUNRCFBRKMT-UHFFFAOYSA-N
MW392.63 g/mol
LogP3.77
Rot. Bonds3

About 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride

4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 43100929) has the molecular formula C13H8BrClFNO3S and a molecular weight of 392.63 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
PubChem CID43100929
Molecular FormulaC13H8BrClFNO3S
Molecular Weight392.63 g/mol
Exact Mass390.91
IUPAC Name4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyOCSVUNRCFBRKMT-UHFFFAOYSA-N
XLogP3.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride 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

4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
CID 60811844
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride (CID 43100929) is 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is OCSVUNRCFBRKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO3S/c14-8-1-6-11(12(16)7-8)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18).
What are the key properties of 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride?
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 392.63 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43100929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).