(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide

C13H17ClFNO3S — CID 99857529

IUPAC(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide
SMILESC[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-9-13(6-8-19-9)20(17,18)16-7-5-10-11(14)3-2-4-12(10)15/h2-4,9,13,16H,5-8H2,1H3/t9-,13+/m0/s1
InChIKeyGGZBGUYDVMYRGH-TVQRCGJNSA-N
MW321.80 g/mol
LogP2.12
Rot. Bonds5

About (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide

(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide (PubChem CID 99857529) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide
PubChem CID99857529
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide
SMILESC[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-9-13(6-8-19-9)20(17,18)16-7-5-10-11(14)3-2-4-12(10)15/h2-4,9,13,16H,5-8H2,1H3/t9-,13+/m0/s1
InChIKeyGGZBGUYDVMYRGH-TVQRCGJNSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methyl-N-[2-(3,4,5-trifluorophenyl)ethyl]oxolane-3-sulfonamide
CID 99857548
2-[(2-chloro-6-fluorophenyl)methylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166333150
(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175144
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
N-(cyanomethyl)-2-methyloxolane-3-sulfonamide
CID 130689692
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 86854125
3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
CID 9160242
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014979
2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide
CID 128586353

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide (CID 99857529) is (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide is C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1c(F)cccc1Cl.
What is the InChIKey of (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is GGZBGUYDVMYRGH-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-9-13(6-8-19-9)20(17,18)16-7-5-10-11(14)3-2-4-12(10)15/h2-4,9,13,16H,5-8H2,1H3/t9-,13+/m0/s1.
What are the key properties of (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide?
(2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 321.80 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 99857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).