3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid

C15H14N2O5S — CID 90959101

IUPAC3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O5S/c1-10-4-2-7-13(8-10)23(21,22)17-15(20)16-12-6-3-5-11(9-12)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUXVWCYRWQJYJBW-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.20
Rot. Bonds4

About 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid

3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid (PubChem CID 90959101) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
PubChem CID90959101
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
SMILESCc1cccc(S(=O)(=O)NC(=O)Nc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14N2O5S/c1-10-4-2-7-13(8-10)23(21,22)17-15(20)16-12-6-3-5-11(9-12)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUXVWCYRWQJYJBW-UHFFFAOYSA-N
XLogP2.20
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoyl]oxyheptyl 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 23070388
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid
CID 67689282
2-[2-[2-[3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoyl]oxyethoxy]ethoxy]ethyl 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 90797650
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
CID 47130286
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
(3-methylphenyl)sulfonylurea
CID 46224904
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
1-[3-(tert-butylcarbamothioylamino)phenyl]sulfonyl-3-phenylurea
CID 139878364
benzyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564869

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid?
The IUPAC name of 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid (CID 90959101) is 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid?
The canonical SMILES for 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid is Cc1cccc(S(=O)(=O)NC(=O)Nc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid?
The InChIKey is UXVWCYRWQJYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-10-4-2-7-13(8-10)23(21,22)17-15(20)16-12-6-3-5-11(9-12)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid?
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid has a molecular weight of 334.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid is sourced from PubChem (CID 90959101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).