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

C19H15NO4S — CID 2407151

IUPAC3-[(4-phenylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)16-7-4-8-18(13-16)25(23,24)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H,(H,21,22)
InChIKeyNFFFXPZENJBKRP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds5

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

3-[(4-phenylphenyl)sulfamoyl]benzoic acid (PubChem CID 2407151) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenylphenyl)sulfamoyl]benzoic acid
PubChem CID2407151
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name3-[(4-phenylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)16-7-4-8-18(13-16)25(23,24)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H,(H,21,22)
InChIKeyNFFFXPZENJBKRP-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-phenylphenyl)sulfamoyl]benzoic acid (CID 2407151) is 3-[(4-phenylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-phenylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-phenylphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenylphenyl)sulfamoyl]benzoic acid?
The InChIKey is NFFFXPZENJBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-19(22)16-7-4-8-18(13-16)25(23,24)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-13,20H,(H,21,22).
What are the key properties of 3-[(4-phenylphenyl)sulfamoyl]benzoic acid?
3-[(4-phenylphenyl)sulfamoyl]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-[(4-phenylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2407151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).