N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide

C15H15F3N2O3S2 — CID 19844867

IUPACN-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCSc1ccc(N(Cc2ccccn2)S(C)(=O)=O)c(OC(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S2/c1-24-12-6-7-13(14(9-12)23-15(16,17)18)20(25(2,21)22)10-11-5-3-4-8-19-11/h3-9H,10H2,1-2H3
InChIKeyYWVCJOWITUVBGY-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.67
Rot. Bonds6

About N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide

N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 19844867) has the molecular formula C15H15F3N2O3S2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID19844867
Molecular FormulaC15H15F3N2O3S2
Molecular Weight392.42 g/mol
Exact Mass392.05
IUPAC NameN-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCSc1ccc(N(Cc2ccccn2)S(C)(=O)=O)c(OC(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S2/c1-24-12-6-7-13(14(9-12)23-15(16,17)18)20(25(2,21)22)10-11-5-3-4-8-19-11/h3-9H,10H2,1-2H3
InChIKeyYWVCJOWITUVBGY-UHFFFAOYSA-N
XLogP3.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155556547
N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
CID 166632760
2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 72190289
3-fluoro-2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526306
2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155543675
2-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
CID 155511967
N-[(pyridin-2-yl)methyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
CID 17154265
3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 852239
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 52907215
N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 52907216
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
CID 9946963

Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 19844867) is N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is CSc1ccc(N(Cc2ccccn2)S(C)(=O)=O)c(OC(F)(F)F)c1.
What is the InChIKey of N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is YWVCJOWITUVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S2/c1-24-12-6-7-13(14(9-12)23-15(16,17)18)20(25(2,21)22)10-11-5-3-4-8-19-11/h3-9H,10H2,1-2H3.
What are the key properties of N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 392.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methylsulfanyl-2-(trifluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 19844867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).