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

C16H16ClNO4S — CID 35506738

IUPACmethyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H16ClNO4S/c1-10-5-7-13(9-14(10)17)18-23(20,21)15-8-12(16(19)22-3)6-4-11(15)2/h4-9,18H,1-3H3
InChIKeyWNNSWTSKVVQBCD-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.54
Rot. Bonds4

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

methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 35506738) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
PubChem CID35506738
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Namemethyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H16ClNO4S/c1-10-5-7-13(9-14(10)17)18-23(20,21)15-8-12(16(19)22-3)6-4-11(15)2/h4-9,18H,1-3H3
InChIKeyWNNSWTSKVVQBCD-UHFFFAOYSA-N
XLogP3.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
CID 24510134
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
dimethyl 2-[(3-iodo-4-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26950536
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate (CID 35506738) is methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is WNNSWTSKVVQBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-10-5-7-13(9-14(10)17)18-23(20,21)15-8-12(16(19)22-3)6-4-11(15)2/h4-9,18H,1-3H3.
What are the key properties of methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate?
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 353.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 35506738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).