3-formyl-N-phenylbenzenesulfonamide

C13H11NO3S — CID 22601475

IUPAC3-formyl-N-phenylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H11NO3S/c15-10-11-5-4-8-13(9-11)18(16,17)14-12-6-2-1-3-7-12/h1-10,14H
InChIKeySVHHFAJDSLKLMF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.30
Rot. Bonds4

About 3-formyl-N-phenylbenzenesulfonamide

3-formyl-N-phenylbenzenesulfonamide (PubChem CID 22601475) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-formyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-formyl-N-phenylbenzenesulfonamide
PubChem CID22601475
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name3-formyl-N-phenylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H11NO3S/c15-10-11-5-4-8-13(9-11)18(16,17)14-12-6-2-1-3-7-12/h1-10,14H
InChIKeySVHHFAJDSLKLMF-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-chloro-3-formylbenzenesulfonamide
CID 87179067
N,3-diphenylbenzenesulfonamide
CID 54513984
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
(Z)-2-fluoro-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 53302516
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-(chloro-methylidene-oxo-λ6-sulfanyl)-N-phenylbenzenesulfonamide
CID 123254943
(E)-N-methyl-4-[3-(phenylsulfamoyl)phenyl]but-3-enamide
CID 59571949
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
3-formylbenzenesulfonyl chloride
CID 22007178
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-formyl-N-phenylbenzenesulfonamide (CID 22601475) is 3-formyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-formyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-formyl-N-phenylbenzenesulfonamide is O=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-formyl-N-phenylbenzenesulfonamide?
The InChIKey is SVHHFAJDSLKLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-10-11-5-4-8-13(9-11)18(16,17)14-12-6-2-1-3-7-12/h1-10,14H.
What are the key properties of 3-formyl-N-phenylbenzenesulfonamide?
3-formyl-N-phenylbenzenesulfonamide has a molecular weight of 261.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 22601475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).