N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide

C18H15F3N2O2S — CID 157021116

IUPACN-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N=C1CCC(c2ccccc2)=CN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)15-7-9-16(10-8-15)26(24,25)23-17-11-6-14(12-22-17)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)
InChIKeyZOAMGZZMSHCXAP-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.22
Rot. Bonds3

About N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide

N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 157021116) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID157021116
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N=C1CCC(c2ccccc2)=CN1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O2S/c19-18(20,21)15-7-9-16(10-8-15)26(24,25)23-17-11-6-14(12-22-17)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)
InChIKeyZOAMGZZMSHCXAP-UHFFFAOYSA-N
XLogP4.22
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)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

N-(3,4-dihydro-1H-quinolin-2-ylidene)benzenesulfonamide
CID 157021117
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
1-phenyl-9H-fluorene;4-(trifluoromethyl)benzenesulfonic acid
CID 158777181
N-[(3E)-2,4-diphenyl-3-[4-(trifluoromethyl)phenyl]sulfonyliminocyclobuten-1-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 57339042
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
N-(1,3-dihydroindol-2-ylidene)-4-methylbenzenesulfonamide
CID 169450837
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide (CID 157021116) is N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N=C1CCC(c2ccccc2)=CN1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZOAMGZZMSHCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c19-18(20,21)15-7-9-16(10-8-15)26(24,25)23-17-11-6-14(12-22-17)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23).
What are the key properties of N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide?
N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 380.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-3,4-dihydro-1H-pyridin-2-ylidene)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 157021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).