N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide

C19H15F3N2O2S — CID 162602710

IUPACN-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N=S(=O)(c1ccccc1)C1C=CC=CC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)17-11-12-23-13-16(17)18(25)24-27(26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-9,11-13,15H,10H2
InChIKeyDKQWBCMXJJIUQZ-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.65
Rot. Bonds3

About N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 162602710) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID162602710
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC NameN-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N=S(=O)(c1ccccc1)C1C=CC=CC1)c1cnccc1C(F)(F)F
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)17-11-12-23-13-16(17)18(25)24-27(26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-9,11-13,15H,10H2
InChIKeyDKQWBCMXJJIUQZ-UHFFFAOYSA-N
XLogP4.65
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 162602710) is N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(N=S(=O)(c1ccccc1)C1C=CC=CC1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DKQWBCMXJJIUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)17-11-12-23-13-16(17)18(25)24-27(26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-9,11-13,15H,10H2.
What are the key properties of N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-2,4-dien-1-yl-oxo-phenyl-λ6-sulfanylidene)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 162602710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).