methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

C16H17NO4S — CID 967558

IUPACmethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO4S/c1-11-4-8-14(9-5-11)17-22(19,20)15-10-13(16(18)21-3)7-6-12(15)2/h4-10,17H,1-3H3
InChIKeyNBIMFTNPONDWPT-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.89
Rot. Bonds4

About methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate

methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 967558) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID967558
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Namemethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17NO4S/c1-11-4-8-14(9-5-11)17-22(19,20)15-10-13(16(18)21-3)7-6-12(15)2/h4-10,17H,1-3H3
InChIKeyNBIMFTNPONDWPT-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-3-[(4-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

methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
dimethyl 2-[(3-iodo-4-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26950536
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
(2-butoxy-2-oxoethyl) 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 18281811
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate (CID 967558) is methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is NBIMFTNPONDWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-11-4-8-14(9-5-11)17-22(19,20)15-10-13(16(18)21-3)7-6-12(15)2/h4-10,17H,1-3H3.
What are the key properties of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate?
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 319.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 967558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).