methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate

C14H11Cl2NO4S — CID 54141617

IUPACmethyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(15)8-11(12)16/h2-8,17H,1H3
InChIKeyOBMTXQQOGKSBCC-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.58
Rot. Bonds4

About methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate

methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate (PubChem CID 54141617) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
PubChem CID54141617
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Namemethyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(15)8-11(12)16/h2-8,17H,1H3
InChIKeyOBMTXQQOGKSBCC-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

2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
CID 29302580
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 4794038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate (CID 54141617) is methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate?
The InChIKey is OBMTXQQOGKSBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-21-14(18)10-4-2-3-5-13(10)22(19,20)17-12-7-6-9(15)8-11(12)16/h2-8,17H,1H3.
What are the key properties of methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate?
methyl 2-[(2,4-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 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 54141617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).