3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C11H15FN2O2S — CID 10634951

IUPAC3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CNC(CF)C2
InChIInChI=1S/C11H15FN2O2S/c1-13-17(15,16)11-3-2-8-4-10(6-12)14-7-9(8)5-11/h2-3,5,10,13-14H,4,6-7H2,1H3
InChIKeyZUWHVOMCHOIDKQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.58
Rot. Bonds3

About 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 10634951) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID10634951
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CNC(CF)C2
InChIInChI=1S/C11H15FN2O2S/c1-13-17(15,16)11-3-2-8-4-10(6-12)14-7-9(8)5-11/h2-3,5,10,13-14H,4,6-7H2,1H3
InChIKeyZUWHVOMCHOIDKQ-UHFFFAOYSA-N
XLogP0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 10634951) is 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CNC(CF)C2.
What is the InChIKey of 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is ZUWHVOMCHOIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-13-17(15,16)11-3-2-8-4-10(6-12)14-7-9(8)5-11/h2-3,5,10,13-14H,4,6-7H2,1H3.
What are the key properties of 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 258.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 10634951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).