4-benzoylbenzenesulfonamide

C13H11NO3S — CID 70209200

IUPAC4-benzoylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO3S/c14-18(16,17)12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,(H2,14,16,17)
InChIKeyWFBSNAUCTWHPMB-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.57
Rot. Bonds3

About 4-benzoylbenzenesulfonamide

4-benzoylbenzenesulfonamide (PubChem CID 70209200) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-benzoylbenzenesulfonamide.

Molecular Properties

Compound Name4-benzoylbenzenesulfonamide
PubChem CID70209200
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name4-benzoylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NO3S/c14-18(16,17)12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,(H2,14,16,17)
InChIKeyWFBSNAUCTWHPMB-UHFFFAOYSA-N
XLogP1.57
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
diphenylmethanone
CID 3102
4-sulfamoylbenzoyl iodide
CID 88945846
benzenesulfonamide;methanol
CID 23223292
phenyl-[4-(trichloromethylsulfonyl)phenyl]methanone
CID 20582687
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
potassium 4-sulfamoylbenzoate
CID 23684074
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 4-benzoylbenzenesulfonamide?
The IUPAC name of 4-benzoylbenzenesulfonamide (CID 70209200) is 4-benzoylbenzenesulfonamide.
What is the SMILES notation for 4-benzoylbenzenesulfonamide?
The canonical SMILES for 4-benzoylbenzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoylbenzenesulfonamide?
The InChIKey is WFBSNAUCTWHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c14-18(16,17)12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,(H2,14,16,17).
What are the key properties of 4-benzoylbenzenesulfonamide?
4-benzoylbenzenesulfonamide has a molecular weight of 261.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoylbenzenesulfonamide is sourced from PubChem (CID 70209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).