methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate

C15H14ClNO4S — CID 60621327

IUPACmethyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-10-4-3-5-12(8-10)17-22(19,20)14-7-6-11(9-13(14)16)15(18)21-2/h3-9,17H,1-2H3
InChIKeyMFXLBOKHLQYTAG-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.24
Rot. Bonds4

About methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate

methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 60621327) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID60621327
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Namemethyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-10-4-3-5-12(8-10)17-22(19,20)14-7-6-11(9-13(14)16)15(18)21-2/h3-9,17H,1-2H3
InChIKeyMFXLBOKHLQYTAG-UHFFFAOYSA-N
XLogP3.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
methyl 2-chloro-5-[(2-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 51113035
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoate
CID 43405556
methyl 3-chloro-4-(dimethylsulfamoyl)benzoate
CID 52857534
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate (CID 60621327) is methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is MFXLBOKHLQYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-10-4-3-5-12(8-10)17-22(19,20)14-7-6-11(9-13(14)16)15(18)21-2/h3-9,17H,1-2H3.
What are the key properties of methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate?
methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 339.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 60621327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).