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

C13H8Cl2FNO3S — CID 43096347

IUPAC4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8Cl2FNO3S/c14-12-7-8(16)1-6-11(12)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyWUEDPTVKKNHFMN-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.66
Rot. Bonds3

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

4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 43096347) has the molecular formula C13H8Cl2FNO3S and a molecular weight of 348.18 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
PubChem CID43096347
Molecular FormulaC13H8Cl2FNO3S
Molecular Weight348.18 g/mol
Exact Mass346.96
IUPAC Name4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H8Cl2FNO3S/c14-12-7-8(16)1-6-11(12)13(18)17-9-2-4-10(5-3-9)21(15,19)20/h1-7H,(H,17,18)
InChIKeyWUEDPTVKKNHFMN-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

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Related Compounds

4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
CID 31288662
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 50946377
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride (CID 43096347) is 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is WUEDPTVKKNHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO3S/c14-12-7-8(16)1-6-11(12)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-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride?
4-[(2-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-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43096347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).