3-[(2-phenylphenyl)sulfonylamino]benzoic acid

C19H15NO4S — CID 52565138

IUPAC3-[(2-phenylphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)20-25(23,24)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyNGFYBJAYWNYSBC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds5

About 3-[(2-phenylphenyl)sulfonylamino]benzoic acid

3-[(2-phenylphenyl)sulfonylamino]benzoic acid (PubChem CID 52565138) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[(2-phenylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenylphenyl)sulfonylamino]benzoic acid
PubChem CID52565138
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name3-[(2-phenylphenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)20-25(23,24)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyNGFYBJAYWNYSBC-UHFFFAOYSA-N
XLogP3.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[3-[(2-phenylphenyl)sulfonylamino]phenyl]butanoic acid
CID 166231797
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
3-[[2,4-difluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 142738865
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]benzoic acid
CID 171985684
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
3-[(2,4,6-trichlorophenyl)sulfonylamino]benzoic acid
CID 75414770
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
3-[(methylsulfonimidoyl)amino]benzoic acid
CID 164648451

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2-phenylphenyl)sulfonylamino]benzoic acid (CID 52565138) is 3-[(2-phenylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2-phenylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2-phenylphenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-[(2-phenylphenyl)sulfonylamino]benzoic acid?
The InChIKey is NGFYBJAYWNYSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)20-25(23,24)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22).
What are the key properties of 3-[(2-phenylphenyl)sulfonylamino]benzoic acid?
3-[(2-phenylphenyl)sulfonylamino]benzoic acid has a molecular weight of 353.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 52565138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).