N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide

C15H15F3N2O2S2 — CID 30123931

IUPACN,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2S2/c1-20(2)24(21,22)13-6-7-14(19-9-13)23-10-11-4-3-5-12(8-11)15(16,17)18/h3-9H,10H2,1-2H3
InChIKeyKLQJCGXCFLRIQI-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.64
Rot. Bonds5

About N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide

N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 30123931) has the molecular formula C15H15F3N2O2S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
PubChem CID30123931
Molecular FormulaC15H15F3N2O2S2
Molecular Weight376.43 g/mol
Exact Mass376.05
IUPAC NameN,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2S2/c1-20(2)24(21,22)13-6-7-14(19-9-13)23-10-11-4-3-5-12(8-11)15(16,17)18/h3-9H,10H2,1-2H3
InChIKeyKLQJCGXCFLRIQI-UHFFFAOYSA-N
XLogP3.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide (CID 30123931) is N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(SCc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is KLQJCGXCFLRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S2/c1-20(2)24(21,22)13-6-7-14(19-9-13)23-10-11-4-3-5-12(8-11)15(16,17)18/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 30123931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).