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

C14H13NO4S — CID 2403526

IUPAC4-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyNWOOPPFGYBXGHY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.49
Rot. Bonds4

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

4-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 2403526) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID2403526
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name4-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H13NO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyNWOOPPFGYBXGHY-UHFFFAOYSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 2403526) is 4-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is NWOOPPFGYBXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]benzoic acid?
4-[(4-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).