2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C16H17FN2O3S — CID 97463700

IUPAC2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C16H17FN2O3S/c1-22-11-13-9-18-8-12-10-19(6-5-16(12)13)23(20,21)15-4-2-3-14(17)7-15/h2-4,7-9H,5-6,10-11H2,1H3
InChIKeyGESNZTYOSRDNIH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463700) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463700
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C16H17FN2O3S/c1-22-11-13-9-18-8-12-10-19(6-5-16(12)13)23(20,21)15-4-2-3-14(17)7-15/h2-4,7-9H,5-6,10-11H2,1H3
InChIKeyGESNZTYOSRDNIH-UHFFFAOYSA-N
XLogP2.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463700) is 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is COCc1cncc2c1CCN(S(=O)(=O)c1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is GESNZTYOSRDNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-22-11-13-9-18-8-12-10-19(6-5-16(12)13)23(20,21)15-4-2-3-14(17)7-15/h2-4,7-9H,5-6,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 336.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).