2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid

C15H15NO5S — CID 57119574

IUPAC2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO5S/c1-10-3-5-11(6-4-10)16-22(19,20)12-7-8-13(15(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyXKYXLVIUEHJILY-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

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

2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 57119574) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID57119574
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO5S/c1-10-3-5-11(6-4-10)16-22(19,20)12-7-8-13(15(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyXKYXLVIUEHJILY-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

2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
2-methoxy-5-[[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperazin-1-yl]methyl]benzoic acid
CID 145112941
5-ethylsulfanyl-2-methoxy-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373387
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 57119574) is 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid is COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is XKYXLVIUEHJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-3-5-11(6-4-10)16-22(19,20)12-7-8-13(15(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid?
2-methoxy-4-[(4-methylphenyl)sulfamoyl]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-4-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 57119574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).