methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate

C15H13Cl2NO4S — CID 51113035

IUPACmethyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9-3-6-14(13(17)7-9)23(20,21)18-10-4-5-12(16)11(8-10)15(19)22-2/h3-8,18H,1-2H3
InChIKeyZMORMDOUSALSEQ-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.89
Rot. Bonds4

About methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate

methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate (PubChem CID 51113035) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
PubChem CID51113035
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Namemethyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9-3-6-14(13(17)7-9)23(20,21)18-10-4-5-12(16)11(8-10)15(19)22-2/h3-8,18H,1-2H3
InChIKeyZMORMDOUSALSEQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
CID 60621327
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
methyl 2-chloro-5-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoate
CID 51121376
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate (CID 51113035) is methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is ZMORMDOUSALSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-9-3-6-14(13(17)7-9)23(20,21)18-10-4-5-12(16)11(8-10)15(19)22-2/h3-8,18H,1-2H3.
What are the key properties of methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate?
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 374.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 51113035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).