3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid

C15H15NO5S — CID 2329148

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-4-11(15(17)18)9-14(10)22(19,20)16-12-5-7-13(21-2)8-6-12/h3-9,16H,1-2H3,(H,17,18)
InChIKeyDZAQEXJIYVGGBH-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

About 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid

3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid (PubChem CID 2329148) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
PubChem CID2329148
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-4-11(15(17)18)9-14(10)22(19,20)16-12-5-7-13(21-2)8-6-12/h3-9,16H,1-2H3,(H,17,18)
InChIKeyDZAQEXJIYVGGBH-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid (CID 2329148) is 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid is COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid?
The InChIKey is DZAQEXJIYVGGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-3-4-11(15(17)18)9-14(10)22(19,20)16-12-5-7-13(21-2)8-6-12/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid?
3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic 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 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 2329148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).