N-benzylidene-4-methylbenzenesulfonamide

C14H13NO2S — CID 2755668

IUPACN-benzylidene-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1
InChIInChI=1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyHVCKVBQOKOFBFH-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.80
Rot. Bonds3

About N-benzylidene-4-methylbenzenesulfonamide

N-benzylidene-4-methylbenzenesulfonamide (PubChem CID 2755668) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-benzylidene-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzylidene-4-methylbenzenesulfonamide
PubChem CID2755668
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC NameN-benzylidene-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1
InChIInChI=1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyHVCKVBQOKOFBFH-UHFFFAOYSA-N
XLogP2.80
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylidene-4-methylbenzenesulfonamide?
The IUPAC name of N-benzylidene-4-methylbenzenesulfonamide (CID 2755668) is N-benzylidene-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzylidene-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzylidene-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2ccccc2)cc1.
What is the InChIKey of N-benzylidene-4-methylbenzenesulfonamide?
The InChIKey is HVCKVBQOKOFBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of N-benzylidene-4-methylbenzenesulfonamide?
N-benzylidene-4-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-4-methylbenzenesulfonamide is sourced from PubChem (CID 2755668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).