6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C17H17F3N2O2S — CID 56588655

IUPAC6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCc1cc2c(nc1C)CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-11-10-16-15(21-12(11)2)4-3-9-22(16)25(23,24)14-7-5-13(6-8-14)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3
InChIKeyRTTVLLOWXOPUAP-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.86
Rot. Bonds2

About 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588655) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588655
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCc1cc2c(nc1C)CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-11-10-16-15(21-12(11)2)4-3-9-22(16)25(23,24)14-7-5-13(6-8-14)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3
InChIKeyRTTVLLOWXOPUAP-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 123371401
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588669
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588672
6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588648
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
CID 19811007
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
4,5-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-oxazole
CID 143561460
7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,6-naphthyridine
CID 134999699
(3aR)-5-(4-fluorophenyl)sulfonyl-7-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline
CID 6558107
1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 119975170

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 56588655) is 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is Cc1cc2c(nc1C)CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is RTTVLLOWXOPUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-11-10-16-15(21-12(11)2)4-3-9-22(16)25(23,24)14-7-5-13(6-8-14)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 370.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).