7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine

C15H14F2N4O2S — CID 89050949

IUPAC7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C15H14F2N4O2S/c16-10-1-2-14(13(17)5-10)24(22,23)21-4-3-11-9(8-21)7-20-15(19)12(11)6-18/h1-2,5-7,18H,3-4,8H2,(H2,19,20)/b18-6+
InChIKeyXFLRSEKWICVMCT-NGYBGAFCSA-N
MW352.37 g/mol
LogP1.69
Rot. Bonds3

About 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine

7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine (PubChem CID 89050949) has the molecular formula C15H14F2N4O2S and a molecular weight of 352.37 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
PubChem CID89050949
Molecular FormulaC15H14F2N4O2S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2
InChIInChI=1S/C15H14F2N4O2S/c16-10-1-2-14(13(17)5-10)24(22,23)21-4-3-11-9(8-21)7-20-15(19)12(11)6-18/h1-2,5-7,18H,3-4,8H2,(H2,19,20)/b18-6+
InChIKeyXFLRSEKWICVMCT-NGYBGAFCSA-N
XLogP1.69
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
CID 89050921
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
6-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-methanimidoyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 89050889
4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine
CID 89050922
2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
CID 146067023
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(2,4-difluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 19684927
2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
CID 146067120
2-(4-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294139
N-[6-(5-fluoro-2-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-methylbenzamide
CID 11619071
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
2-(2-fluorophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1306212

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The IUPAC name of 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine (CID 89050949) is 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine.
What is the SMILES notation for 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The canonical SMILES for 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine is [H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2.
What is the InChIKey of 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The InChIKey is XFLRSEKWICVMCT-NGYBGAFCSA-N. The full InChI is InChI=1S/C15H14F2N4O2S/c16-10-1-2-14(13(17)5-10)24(22,23)21-4-3-11-9(8-21)7-20-15(19)12(11)6-18/h1-2,5-7,18H,3-4,8H2,(H2,19,20)/b18-6+.
What are the key properties of 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine has a molecular weight of 352.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine is sourced from PubChem (CID 89050949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).