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

C14H13NO4S — CID 834756

IUPAC3-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO4S/c1-10-5-7-12(8-6-10)15-20(18,19)13-4-2-3-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyZKULNPUGFSHGPW-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.49
Rot. Bonds4

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

3-[(4-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 834756) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]benzoic acid
PubChem CID834756
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name3-[(4-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO4S/c1-10-5-7-12(8-6-10)15-20(18,19)13-4-2-3-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)
InChIKeyZKULNPUGFSHGPW-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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Related Compounds

N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 119200789
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398
N-(2-amino-2-methylpropyl)-3-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119628934
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]benzoic acid (CID 834756) is 3-[(4-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is ZKULNPUGFSHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-10-5-7-12(8-6-10)15-20(18,19)13-4-2-3-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]benzoic acid?
3-[(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 3-[(4-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 834756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).