2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide

C16H17F2N3O2S — CID 71590443

IUPAC2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(n1)NCCC2)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O2S/c17-13-4-1-5-14(18)15(13)24(22,23)20-10-8-12-7-6-11-3-2-9-19-16(11)21-12/h1,4-7,20H,2-3,8-10H2,(H,19,21)
InChIKeyIVQSYGQWUOLUFJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.24
Rot. Bonds5

About 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide

2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 71590443) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID71590443
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(n1)NCCC2)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O2S/c17-13-4-1-5-14(18)15(13)24(22,23)20-10-8-12-7-6-11-3-2-9-19-16(11)21-12/h1,4-7,20H,2-3,8-10H2,(H,19,21)
InChIKeyIVQSYGQWUOLUFJ-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
CID 71590322
1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590230
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
1-(2-chloro-6-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590317
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
1-(4-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887059
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 70887077
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
1-(cyclopropylmethyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590224
1-(5-fluoro-2-methylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887060

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide (CID 71590443) is 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc2c(n1)NCCC2)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is IVQSYGQWUOLUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-13-4-1-5-14(18)15(13)24(22,23)20-10-8-12-7-6-11-3-2-9-19-16(11)21-12/h1,4-7,20H,2-3,8-10H2,(H,19,21).
What are the key properties of 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 353.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71590443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).