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

C14H11Cl2NO3S — CID 63195185

IUPAC4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-3-10(8-13(9)15)14(18)17-11-4-6-12(7-5-11)21(16,19)20/h2-8H,1H3,(H,17,18)
InChIKeyKZEXBUHUNMWZKN-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.83
Rot. Bonds3

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

4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride (PubChem CID 63195185) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
PubChem CID63195185
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-3-10(8-13(9)15)14(18)17-11-4-6-12(7-5-11)21(16,19)20/h2-8H,1H3,(H,17,18)
InChIKeyKZEXBUHUNMWZKN-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide
CID 28518831

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride (CID 63195185) is 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is KZEXBUHUNMWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9-2-3-10(8-13(9)15)14(18)17-11-4-6-12(7-5-11)21(16,19)20/h2-8H,1H3,(H,17,18).
What are the key properties of 4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride?
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 344.22 g/mol, XLogP of 3.83, 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-methylbenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 63195185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).