4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide

C20H22N2O2S — CID 163067301

IUPAC4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2C=C[C@@](C)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-21-18-12-14-20(2,15-13-18)17-6-4-3-5-7-17/h3-12,14,22H,13,15H2,1-2H3/t20-/m1/s1
InChIKeyAFVJLMHQMTUVEK-HXUWFJFHSA-N
MW354.48 g/mol
LogP3.94
Rot. Bonds4

About 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide

4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide (PubChem CID 163067301) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
PubChem CID163067301
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2C=C[C@@](C)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-21-18-12-14-20(2,15-13-18)17-6-4-3-5-7-17/h3-12,14,22H,13,15H2,1-2H3/t20-/m1/s1
InChIKeyAFVJLMHQMTUVEK-HXUWFJFHSA-N
XLogP3.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-[(E)-spiro[5.5]undeca-4,9-dien-3-ylideneamino]benzenesulfonamide
CID 6368598
N-[(Z)-cyclohex-2-en-1-ylideneamino]-4-methylbenzenesulfonamide
CID 6510927
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685
N-[(E)-(2,2-dibenzylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 10343547
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
(3Z)-4,7,7-trimethyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 6374487
N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
CID 134973307
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide (CID 163067301) is 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2C=C[C@@](C)(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide?
The InChIKey is AFVJLMHQMTUVEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-21-18-12-14-20(2,15-13-18)17-6-4-3-5-7-17/h3-12,14,22H,13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide?
4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 163067301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).