4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid

C16H14N2O7S — CID 22456332

IUPAC4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14N2O7S/c19-14(20)9-17-26(24,25)13-7-5-12(6-8-13)18-15(21)10-1-3-11(4-2-10)16(22)23/h1-8,17H,9H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyFVJPTMJRUPHXJI-UHFFFAOYSA-N
MW378.36 g/mol
LogP1.00
Rot. Bonds7

About 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid

4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 22456332) has the molecular formula C16H14N2O7S and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID22456332
Molecular FormulaC16H14N2O7S
Molecular Weight378.36 g/mol
Exact Mass378.05
IUPAC Name4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14N2O7S/c19-14(20)9-17-26(24,25)13-7-5-12(6-8-13)18-15(21)10-1-3-11(4-2-10)16(22)23/h1-8,17H,9H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyFVJPTMJRUPHXJI-UHFFFAOYSA-N
XLogP1.00
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid (CID 22456332) is 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid is O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is FVJPTMJRUPHXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O7S/c19-14(20)9-17-26(24,25)13-7-5-12(6-8-13)18-15(21)10-1-3-11(4-2-10)16(22)23/h1-8,17H,9H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid?
4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 378.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 22456332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).