4-phenylbenzenesulfonamide

C12H11NO2S — CID 5017140

IUPAC4-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyJVFCCRJSBNUDDU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.00
Rot. Bonds2

About 4-phenylbenzenesulfonamide

4-phenylbenzenesulfonamide (PubChem CID 5017140) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-phenylbenzenesulfonamide
PubChem CID5017140
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name4-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyJVFCCRJSBNUDDU-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbenzenesulfonamide?
The IUPAC name of 4-phenylbenzenesulfonamide (CID 5017140) is 4-phenylbenzenesulfonamide.
What is the SMILES notation for 4-phenylbenzenesulfonamide?
The canonical SMILES for 4-phenylbenzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylbenzenesulfonamide?
The InChIKey is JVFCCRJSBNUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15).
What are the key properties of 4-phenylbenzenesulfonamide?
4-phenylbenzenesulfonamide has a molecular weight of 233.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzenesulfonamide is sourced from PubChem (CID 5017140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).