2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine

C15H16N2O2S — CID 166282081

IUPAC2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccncc2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,12-13-4-2-1-3-5-13)17-9-7-14-6-8-16-10-15(14)11-17/h1-6,8,10H,7,9,11-12H2
InChIKeyITNVPRWHKUWZBM-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.97
Rot. Bonds3

About 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine

2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 166282081) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID166282081
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCc2ccncc2C1
InChIInChI=1S/C15H16N2O2S/c18-20(19,12-13-4-2-1-3-5-13)17-9-7-14-6-8-16-10-15(14)11-17/h1-6,8,10H,7,9,11-12H2
InChIKeyITNVPRWHKUWZBM-UHFFFAOYSA-N
XLogP1.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzylsulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
CID 158216956
benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)benzoate
CID 46778180
2-[(3-nitrophenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 28635818
1,5,9-tris(benzylsulfonyl)-3-methylidene-1,5,9-triazacyclododecane
CID 140984157
2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164880602
N-(5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 174988888
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56514315

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine (CID 166282081) is 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine is O=S(=O)(Cc1ccccc1)N1CCc2ccncc2C1.
What is the InChIKey of 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is ITNVPRWHKUWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-20(19,12-13-4-2-1-3-5-13)17-9-7-14-6-8-16-10-15(14)11-17/h1-6,8,10H,7,9,11-12H2.
What are the key properties of 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 288.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 166282081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).