methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate

C16H16ClNO5S — CID 31700482

IUPACmethyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C16H16ClNO5S/c1-10-7-14(15(22-2)9-13(10)17)18-24(20,21)12-6-4-5-11(8-12)16(19)23-3/h4-9,18H,1-3H3
InChIKeyHMYMYOZNKYRMQW-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.24
Rot. Bonds5

About methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate

methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate (PubChem CID 31700482) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
PubChem CID31700482
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Namemethyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C16H16ClNO5S/c1-10-7-14(15(22-2)9-13(10)17)18-24(20,21)12-6-4-5-11(8-12)16(19)23-3/h4-9,18H,1-3H3
InChIKeyHMYMYOZNKYRMQW-UHFFFAOYSA-N
XLogP3.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate 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

dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 46581552
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
methyl 3-[(6-chloro-2-pyridinyl)sulfamoyl]benzoate
CID 104821299

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate (CID 31700482) is methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c1.
What is the InChIKey of methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The InChIKey is HMYMYOZNKYRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-10-7-14(15(22-2)9-13(10)17)18-24(20,21)12-6-4-5-11(8-12)16(19)23-3/h4-9,18H,1-3H3.
What are the key properties of methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate has a molecular weight of 369.83 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 31700482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).