4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide

C13H12F6N2O2S — CID 10926847

IUPAC4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
SMILESC/C(C=C(C(F)(F)F)C(F)(F)F)=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H12F6N2O2S/c1-8-3-5-10(6-4-8)24(22,23)21-20-9(2)7-11(12(14,15)16)13(17,18)19/h3-7,21H,1-2H3/b20-9-
InChIKeyXVDRVAVLROFXBH-UKWGHVSLSA-N
MW374.31 g/mol
LogP3.70
Rot. Bonds4

About 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide

4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide (PubChem CID 10926847) has the molecular formula C13H12F6N2O2S and a molecular weight of 374.31 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
PubChem CID10926847
Molecular FormulaC13H12F6N2O2S
Molecular Weight374.31 g/mol
Exact Mass374.05
IUPAC Name4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
SMILESC/C(C=C(C(F)(F)F)C(F)(F)F)=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H12F6N2O2S/c1-8-3-5-10(6-4-8)24(22,23)21-20-9(2)7-11(12(14,15)16)13(17,18)19/h3-7,21H,1-2H3/b20-9-
InChIKeyXVDRVAVLROFXBH-UKWGHVSLSA-N
XLogP3.70
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.70
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-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-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)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[(E)-1,1-dichlorobutan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 11278280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide (CID 10926847) is 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide is C/C(C=C(C(F)(F)F)C(F)(F)F)=N/NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide?
The InChIKey is XVDRVAVLROFXBH-UKWGHVSLSA-N. The full InChI is InChI=1S/C13H12F6N2O2S/c1-8-3-5-10(6-4-8)24(22,23)21-20-9(2)7-11(12(14,15)16)13(17,18)19/h3-7,21H,1-2H3/b20-9-.
What are the key properties of 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide?
4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide has a molecular weight of 374.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 10926847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).