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

C15H16N4O2S — CID 89050921

IUPAC7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H16N4O2S/c16-8-14-13-6-7-19(10-11(13)9-18-15(14)17)22(20,21)12-4-2-1-3-5-12/h1-5,8-9,16H,6-7,10H2,(H2,17,18)/b16-8+
InChIKeyMKMCTOSHENYILZ-LZYBPNLTSA-N
MW316.39 g/mol
LogP1.41
Rot. Bonds3

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

7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine (PubChem CID 89050921) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
PubChem CID89050921
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
SMILES[H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C15H16N4O2S/c16-8-14-13-6-7-19(10-11(13)9-18-15(14)17)22(20,21)12-4-2-1-3-5-12/h1-5,8-9,16H,6-7,10H2,(H2,17,18)/b16-8+
InChIKeyMKMCTOSHENYILZ-LZYBPNLTSA-N
XLogP1.41
TPSA100.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.41
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-(2,4-difluorophenyl)sulfonyl-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine
CID 89050949
3-[4-(benzenesulfonyl)piperazin-1-yl]-2-methanimidoylaniline
CID 121326680
4-methanimidoyl-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-3-amine
CID 89050922
7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490619
6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416
2-(benzenesulfonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82177450
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
CID 13098689
2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017681
7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 59490871
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019131
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxyprop-2-enamide
CID 74374103

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The IUPAC name of 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine (CID 89050921) is 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The canonical SMILES for 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine is [H]/N=C/c1c(N)ncc2c1CCN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
The InChIKey is MKMCTOSHENYILZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-8-14-13-6-7-19(10-11(13)9-18-15(14)17)22(20,21)12-4-2-1-3-5-12/h1-5,8-9,16H,6-7,10H2,(H2,17,18)/b16-8+.
What are the key properties of 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine?
7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine has a molecular weight of 316.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-methanimidoyl-6,8-dihydro-5H-2,7-naphthyridin-3-amine is sourced from PubChem (CID 89050921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).