2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide

C16H14F3N3O4S — CID 66780126

IUPAC2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)10-1-3-11(4-2-10)27(25,26)22-6-5-13-9(8-22)7-12(14(20)23)15(24)21-13/h1-4,7H,5-6,8H2,(H2,20,23)(H,21,24)
InChIKeyCDWWWDHUACRTPF-UHFFFAOYSA-N
MW401.37 g/mol
LogP1.24
Rot. Bonds3

About 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide

2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide (PubChem CID 66780126) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide
PubChem CID66780126
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC Name2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)10-1-3-11(4-2-10)27(25,26)22-6-5-13-9(8-22)7-12(14(20)23)15(24)21-13/h1-4,7H,5-6,8H2,(H2,20,23)(H,21,24)
InChIKeyCDWWWDHUACRTPF-UHFFFAOYSA-N
XLogP1.24
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602976
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CID 16612909
1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrazolo[3,4-g]isoquinoline
CID 171446354
N-[6-chloro-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585776
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722
4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34702019
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
N-[6-chloro-2-(4-cyanophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585974
2-(4-tert-butylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxamide
CID 91106615
11-[4-(trifluoromethyl)phenyl]sulfonyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 87052555
8-tert-butyl-2-(4-fluorophenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide (CID 66780126) is 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is CDWWWDHUACRTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c17-16(18,19)10-1-3-11(4-2-10)27(25,26)22-6-5-13-9(8-22)7-12(14(20)23)15(24)21-13/h1-4,7H,5-6,8H2,(H2,20,23)(H,21,24).
What are the key properties of 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide?
2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-(trifluoromethyl)phenyl]sulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 66780126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).