N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C19H18F3N3O3S — CID 67819599

IUPACN-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(C2=NC=CCC2)c1
InChIInChI=1S/C19H18F3N3O3S/c1-28-15-10-14(25-18(11-15)17-4-2-3-9-23-17)12-24-29(26,27)16-7-5-13(6-8-16)19(20,21)22/h3,5-11,24H,2,4,12H2,1H3
InChIKeyXPJJIOPGQRJSOH-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.68
Rot. Bonds6

About N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 67819599) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID67819599
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(C2=NC=CCC2)c1
InChIInChI=1S/C19H18F3N3O3S/c1-28-15-10-14(25-18(11-15)17-4-2-3-9-23-17)12-24-29(26,27)16-7-5-13(6-8-16)19(20,21)22/h3,5-11,24H,2,4,12H2,1H3
InChIKeyXPJJIOPGQRJSOH-UHFFFAOYSA-N
XLogP3.68
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 67819599) is N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(C2=NC=CCC2)c1.
What is the InChIKey of N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XPJJIOPGQRJSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-28-15-10-14(25-18(11-15)17-4-2-3-9-23-17)12-24-29(26,27)16-7-5-13(6-8-16)19(20,21)22/h3,5-11,24H,2,4,12H2,1H3.
What are the key properties of N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dihydropyridin-2-yl)-4-methoxy-2-pyridinyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).