2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride

C14H11Cl2NO3S — CID 58892097

IUPAC2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)Cl
InChIInChI=1S/C14H11Cl2NO3S/c1-9-3-2-4-12(13(9)14(16)18)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3
InChIKeyNPWHMJGANRCWOG-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.83
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride

2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride (PubChem CID 58892097) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
PubChem CID58892097
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)Cl
InChIInChI=1S/C14H11Cl2NO3S/c1-9-3-2-4-12(13(9)14(16)18)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3
InChIKeyNPWHMJGANRCWOG-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3-dimethylphenyl)thiourea
CID 19678548
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 12017243

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride (CID 58892097) is 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride is Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)Cl.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride?
The InChIKey is NPWHMJGANRCWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9-3-2-4-12(13(9)14(16)18)17-21(19,20)11-7-5-10(15)6-8-11/h2-8,17H,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride?
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride has a molecular weight of 344.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride is sourced from PubChem (CID 58892097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).