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

C10H13FN2O2S — CID 11460195

IUPAC(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2
InChIInChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)/t9-/m1/s1
InChIKeyJRESBJUYAQJNMA-SECBINFHSA-N
MW244.29 g/mol
LogP0.32
Rot. Bonds2

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

(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 11460195) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID11460195
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2
InChIInChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)/t9-/m1/s1
InChIKeyJRESBJUYAQJNMA-SECBINFHSA-N
XLogP0.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
CID 5226
(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11349402
(3R)-3-(Fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 11485425
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10019263
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11394776
7-Methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10263774
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11313333
3-(Fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 10610245

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 11460195) is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2.
What is the InChIKey of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is JRESBJUYAQJNMA-SECBINFHSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 11460195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).