methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

C16H17NO5S — CID 967912

IUPACmethyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H17NO5S/c1-11-4-9-14(21-2)15(10-11)23(19,20)17-13-7-5-12(6-8-13)16(18)22-3/h4-10,17H,1-3H3
InChIKeyQHOWBPFKWJKJQO-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.59
Rot. Bonds5

About methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate

methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (PubChem CID 967912) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
PubChem CID967912
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C16H17NO5S/c1-11-4-9-14(21-2)15(10-11)23(19,20)17-13-7-5-12(6-8-13)16(18)22-3/h4-10,17H,1-3H3
InChIKeyQHOWBPFKWJKJQO-UHFFFAOYSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]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

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
Methyl 3-{[(4-methoxyphenyl)sulfonyl]amino}-4-methylbenzoate
CID 1122589
S-[2-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11280414
S-[2-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11625086
4-(Toluene-4-sulfonylamino)-benzoic acid methyl ester
CID 792726
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
Methyl 4-{[(4-methoxyphenyl)sulfonyl]amino}benzoate
CID 737695
N-(3-acetylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768881
Ethyl 2-{[(4-methoxyphenyl)sulfonyl]amino}benzoate
CID 771992
4-Methoxy-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 2444051
4-[[4-(4-Methylphenoxy)phenyl]sulfonylamino]benzoic acid
CID 4854241

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate (CID 967912) is methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
The InChIKey is QHOWBPFKWJKJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-4-9-14(21-2)15(10-11)23(19,20)17-13-7-5-12(6-8-13)16(18)22-3/h4-10,17H,1-3H3.
What are the key properties of methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate?
methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 967912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).