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

C15H14ClNO5S — CID 26487204

IUPACmethyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO5S/c1-21-14-8-5-11(9-13(14)16)17-23(19,20)12-6-3-10(4-7-12)15(18)22-2/h3-9,17H,1-2H3
InChIKeyXUSIETXCGILXOQ-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.94
Rot. Bonds5

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

methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 26487204) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID26487204
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Namemethyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO5S/c1-21-14-8-5-11(9-13(14)16)17-23(19,20)12-6-3-10(4-7-12)15(18)22-2/h3-9,17H,1-2H3
InChIKeyXUSIETXCGILXOQ-UHFFFAOYSA-N
XLogP2.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
methyl 4-(3-chloro-4-methoxyanilino)benzoate
CID 175119032
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate (CID 26487204) is methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is XUSIETXCGILXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-21-14-8-5-11(9-13(14)16)17-23(19,20)12-6-3-10(4-7-12)15(18)22-2/h3-9,17H,1-2H3.
What are the key properties of methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 355.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 26487204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).