N-benzyl-3-formylbenzenesulfonamide

C14H13NO3S — CID 10636117

IUPACN-benzyl-3-formylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H13NO3S/c16-11-13-7-4-8-14(9-13)19(17,18)15-10-12-5-2-1-3-6-12/h1-9,11,15H,10H2
InChIKeyIIYGPDZXOTYKRZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.98
Rot. Bonds5

About N-benzyl-3-formylbenzenesulfonamide

N-benzyl-3-formylbenzenesulfonamide (PubChem CID 10636117) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-benzyl-3-formylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-formylbenzenesulfonamide
PubChem CID10636117
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-benzyl-3-formylbenzenesulfonamide
SMILESO=Cc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C14H13NO3S/c16-11-13-7-4-8-14(9-13)19(17,18)15-10-12-5-2-1-3-6-12/h1-9,11,15H,10H2
InChIKeyIIYGPDZXOTYKRZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.98
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

Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide
CID 4885041
3-(benzylsulfamoyl)-N-hydroxybenzamide
CID 141522811
N-(phenylsulfonyl)benzamide
CID 229604
4-Methyl-N-tosylbenzamide
CID 286201
N-hydroxy-3-(2-phenylethylsulfamoyl)benzamide
CID 145970292
3-(1-Piperidinylsulfonyl)benzamide
CID 767920
N-(4-Methylbenzoyl)benzenesulfonamide
CID 759524
2-fluoro-N-(phenylsulfonyl)benzamide
CID 2147255
2-(N-benzylsulfamoyl)-N-hydroxybenzamide
CID 9879575
3-Sulfamoylbenzamide
CID 13668250
N-(4-fluorophenyl)sulfonylbenzamide
CID 972840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-formylbenzenesulfonamide?
The IUPAC name of N-benzyl-3-formylbenzenesulfonamide (CID 10636117) is N-benzyl-3-formylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-formylbenzenesulfonamide?
The canonical SMILES for N-benzyl-3-formylbenzenesulfonamide is O=Cc1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-formylbenzenesulfonamide?
The InChIKey is IIYGPDZXOTYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-11-13-7-4-8-14(9-13)19(17,18)15-10-12-5-2-1-3-6-12/h1-9,11,15H,10H2.
What are the key properties of N-benzyl-3-formylbenzenesulfonamide?
N-benzyl-3-formylbenzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-formylbenzenesulfonamide is sourced from PubChem (CID 10636117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).