4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid

C15H15NO5S — CID 4126284

IUPAC4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-6-12(7-4-10)22(19,20)16-13-9-11(15(17)18)5-8-14(13)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyMNYIMRMULIOECO-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

About 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid

4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 4126284) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
PubChem CID4126284
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-6-12(7-4-10)22(19,20)16-13-9-11(15(17)18)5-8-14(13)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyMNYIMRMULIOECO-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

3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
4-methoxy-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 71878117
3-iodo-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169370314
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid (CID 4126284) is 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid is COc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is MNYIMRMULIOECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-3-6-12(7-4-10)22(19,20)16-13-9-11(15(17)18)5-8-14(13)21-2/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid?
4-methoxy-3-[(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 4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 4126284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).