4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride

C13H8Cl2FNO3S — CID 82873844

IUPAC4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2FNO3S/c14-11-7-8(1-6-12(11)16)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyHYZKIOWGSSRMAG-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.66
Rot. Bonds3

About 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride

4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 82873844) has the molecular formula C13H8Cl2FNO3S and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
PubChem CID82873844
Molecular FormulaC13H8Cl2FNO3S
Molecular Weight348.18 g/mol
Exact Mass346.96
IUPAC Name4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8Cl2FNO3S/c14-11-7-8(1-6-12(11)16)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyHYZKIOWGSSRMAG-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-chloro-4-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-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride (CID 82873844) is 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is HYZKIOWGSSRMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO3S/c14-11-7-8(1-6-12(11)16)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-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 348.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 82873844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).