methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate

C14H11Cl2NO4S — CID 24509913

IUPACmethyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO4S/c1-21-14(18)9-2-4-13(5-3-9)22(19,20)17-12-7-10(15)6-11(16)8-12/h2-8,17H,1H3
InChIKeyVUBBUXZUCVMJSD-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.58
Rot. Bonds4

About methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate

methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate (PubChem CID 24509913) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
PubChem CID24509913
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Namemethyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO4S/c1-21-14(18)9-2-4-13(5-3-9)22(19,20)17-12-7-10(15)6-11(16)8-12/h2-8,17H,1H3
InChIKeyVUBBUXZUCVMJSD-UHFFFAOYSA-N
XLogP3.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
dimethyl 5-[(4-fluorophenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 1050459
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
dimethyl 1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]azepine-2,3-dicarboxylate
CID 168648213
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate (CID 24509913) is methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate?
The InChIKey is VUBBUXZUCVMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-21-14(18)9-2-4-13(5-3-9)22(19,20)17-12-7-10(15)6-11(16)8-12/h2-8,17H,1H3.
What are the key properties of methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate?
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate has a molecular weight of 360.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 24509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).