2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid

C15H15NO5S — CID 122220864

IUPAC2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C15H15NO5S/c1-10-6-8-11(9-7-10)22(19,20)16-12-4-3-5-13(21-2)14(12)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyLGKJTUWSEPMJHP-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

About 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid

2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 122220864) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
PubChem CID122220864
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)O
InChIInChI=1S/C15H15NO5S/c1-10-6-8-11(9-7-10)22(19,20)16-12-4-3-5-13(21-2)14(12)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyLGKJTUWSEPMJHP-UHFFFAOYSA-N
XLogP2.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
2-[[4-[4-[(2-carboxy-6-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-3-methoxybenzoic acid
CID 11250505
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
N-[2,5-dimethoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide
CID 10718059
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373387

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid (CID 122220864) is 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid is COc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is LGKJTUWSEPMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-6-8-11(9-7-10)22(19,20)16-12-4-3-5-13(21-2)14(12)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid?
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 321.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 122220864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).