methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate

C15H14ClNO5S — CID 8523413

IUPACmethyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H14ClNO5S/c1-21-13-8-7-10(9-12(13)16)17-23(19,20)14-6-4-3-5-11(14)15(18)22-2/h3-9,17H,1-2H3
InChIKeyASXKSRVYQNTOEA-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate

methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 8523413) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID8523413
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Namemethyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H14ClNO5S/c1-21-13-8-7-10(9-12(13)16)17-23(19,20)14-6-4-3-5-11(14)15(18)22-2/h3-9,17H,1-2H3
InChIKeyASXKSRVYQNTOEA-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

methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
methyl 2-[[4-methyl-3-(methylsulfamoyl)phenyl]sulfamoyl]benzoate
CID 8519727
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate (CID 8523413) is methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is ASXKSRVYQNTOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-21-13-8-7-10(9-12(13)16)17-23(19,20)14-6-4-3-5-11(14)15(18)22-2/h3-9,17H,1-2H3.
What are the key properties of methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate?
methyl 2-[(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 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 8523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).