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

C11H15FN2O2S — CID 100950997

IUPAC(3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CN[C@@H](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/t10-/m1/s1
InChIKeyZUWHVOMCHOIDKQ-SNVBAGLBSA-N
MW258.32 g/mol
LogP0.58
Rot. Bonds3

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

(3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 100950997) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID100950997
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name(3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CN[C@@H](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/t10-/m1/s1
InChIKeyZUWHVOMCHOIDKQ-SNVBAGLBSA-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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Related Compounds

(3R)-N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11312887
(3R)-3-(fluoromethyl)-7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 100950995
N-butyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 11450546
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
(3R)-N-(4-chlorophenyl)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10784360
3-(fluoromethyl)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11360541
N-ethyl-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11208994
(2R)-2-amino-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 95804126
3-(difluoromethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11566070
3-(difluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11566312
3-(difluoromethyl)-N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 11501581
(3S)-7-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 141182684

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 100950997) is (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CN[C@@H](CF)C2.
What is the InChIKey of (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is ZUWHVOMCHOIDKQ-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
(3R)-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 (3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 100950997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).