(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide

C19H22N2O2S — CID 6516733

IUPAC(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-10-12-18(13-11-16)24(22,23)20-19(17-8-4-2-5-9-17)21-14-6-3-7-15-21/h2,4-5,8-13H,3,6-7,14-15H2,1H3/b20-19+
InChIKeyDQYXJPSZQLCWTL-FMQUCBEESA-N
MW342.46 g/mol
LogP3.62
Rot. Bonds3

About (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide

(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide (PubChem CID 6516733) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide
PubChem CID6516733
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-16-10-12-18(13-11-16)24(22,23)20-19(17-8-4-2-5-9-17)21-14-6-3-7-15-21/h2,4-5,8-13H,3,6-7,14-15H2,1H3/b20-19+
InChIKeyDQYXJPSZQLCWTL-FMQUCBEESA-N
XLogP3.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide (CID 6516733) is (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide?
The InChIKey is DQYXJPSZQLCWTL-FMQUCBEESA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-16-10-12-18(13-11-16)24(22,23)20-19(17-8-4-2-5-9-17)21-14-6-3-7-15-21/h2,4-5,8-13H,3,6-7,14-15H2,1H3/b20-19+.
What are the key properties of (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide?
(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide is sourced from PubChem (CID 6516733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).