5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide

C14H14FN3O2S — CID 114491132

IUPAC5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CNCC2)c1cncc(F)c1
InChIInChI=1S/C14H14FN3O2S/c15-11-6-12(8-17-7-11)21(19,20)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-3,6-8,16,18H,4-5,9H2
InChIKeyAXGGSAQNRQYRBP-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.67
Rot. Bonds3

About 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide

5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide (PubChem CID 114491132) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
PubChem CID114491132
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2c1CNCC2)c1cncc(F)c1
InChIInChI=1S/C14H14FN3O2S/c15-11-6-12(8-17-7-11)21(19,20)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-3,6-8,16,18H,4-5,9H2
InChIKeyAXGGSAQNRQYRBP-UHFFFAOYSA-N
XLogP1.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide (CID 114491132) is 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cccc2c1CNCC2)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide?
The InChIKey is AXGGSAQNRQYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-11-6-12(8-17-7-11)21(19,20)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-3,6-8,16,18H,4-5,9H2.
What are the key properties of 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide?
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide has a molecular weight of 307.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 114491132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).