3-(phenylsulfamoyl)benzoic acid

C13H11NO4S — CID 759339

IUPAC3-(phenylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H11NO4S/c15-13(16)10-5-4-8-12(9-10)19(17,18)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16)
InChIKeyYNRKZIPFWSDERE-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.19
Rot. Bonds4

About 3-(phenylsulfamoyl)benzoic acid

3-(phenylsulfamoyl)benzoic acid (PubChem CID 759339) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-(phenylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(phenylsulfamoyl)benzoic acid
PubChem CID759339
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name3-(phenylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H11NO4S/c15-13(16)10-5-4-8-12(9-10)19(17,18)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16)
InChIKeyYNRKZIPFWSDERE-UHFFFAOYSA-N
XLogP2.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfamoyl)benzoic acid?
The IUPAC name of 3-(phenylsulfamoyl)benzoic acid (CID 759339) is 3-(phenylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(phenylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(phenylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(phenylsulfamoyl)benzoic acid?
The InChIKey is YNRKZIPFWSDERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-13(16)10-5-4-8-12(9-10)19(17,18)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16).
What are the key properties of 3-(phenylsulfamoyl)benzoic acid?
3-(phenylsulfamoyl)benzoic acid has a molecular weight of 277.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfamoyl)benzoic acid is sourced from PubChem (CID 759339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).