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

C15H15NO5S — CID 1332709

IUPAC4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H15NO5S/c1-10-4-3-5-12(8-10)16-22(19,20)14-9-11(15(17)18)6-7-13(14)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyZMDMMZAPWNUVJN-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

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

4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 1332709) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
PubChem CID1332709
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H15NO5S/c1-10-4-3-5-12(8-10)16-22(19,20)14-9-11(15(17)18)6-7-13(14)21-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyZMDMMZAPWNUVJN-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-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-methoxy-3-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid
CID 45472779
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid (CID 1332709) is 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is ZMDMMZAPWNUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-4-3-5-12(8-10)16-22(19,20)14-9-11(15(17)18)6-7-13(14)21-2/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(3-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 4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 1332709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).