3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid

C15H12N2O7S — CID 67689282

IUPAC3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12N2O7S/c18-13(19)9-4-6-12(7-5-9)25(23,24)17-15(22)16-11-3-1-2-10(8-11)14(20)21/h1-8H,(H,18,19)(H,20,21)(H2,16,17,22)
InChIKeyXGWQJFUMZRUDFV-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.59
Rot. Bonds5

About 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid

3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid (PubChem CID 67689282) has the molecular formula C15H12N2O7S and a molecular weight of 364.34 g/mol. Its IUPAC name is 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid
PubChem CID67689282
Molecular FormulaC15H12N2O7S
Molecular Weight364.34 g/mol
Exact Mass364.04
IUPAC Name3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H12N2O7S/c18-13(19)9-4-6-12(7-5-9)25(23,24)17-15(22)16-11-3-1-2-10(8-11)14(20)21/h1-8H,(H,18,19)(H,20,21)(H2,16,17,22)
InChIKeyXGWQJFUMZRUDFV-UHFFFAOYSA-N
XLogP1.59
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-(diaminomethylidene)-3-[[4-(diaminomethylidenecarbamoyl)phenyl]sulfonylcarbamoylamino]benzamide
CID 67689366
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
3-(trifluoromethylcarbamoylamino)benzoic acid
CID 108865792
benzyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564869
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid?
The IUPAC name of 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid (CID 67689282) is 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid?
The canonical SMILES for 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid?
The InChIKey is XGWQJFUMZRUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O7S/c18-13(19)9-4-6-12(7-5-9)25(23,24)17-15(22)16-11-3-1-2-10(8-11)14(20)21/h1-8H,(H,18,19)(H,20,21)(H2,16,17,22).
What are the key properties of 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid?
3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid has a molecular weight of 364.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carboxyphenyl)sulfonylcarbamoylamino]benzoic acid is sourced from PubChem (CID 67689282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).