2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C11H19F3N2O3S — CID 114809921

IUPAC2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)7-15-20(18,19)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,15,17H,1-7H2
InChIKeyZUTLYBMKPNPRTK-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.01
Rot. Bonds4

About 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809921) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809921
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)7-15-20(18,19)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,15,17H,1-7H2
InChIKeyZUTLYBMKPNPRTK-UHFFFAOYSA-N
XLogP1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809921) is 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is ZUTLYBMKPNPRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)7-15-20(18,19)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,15,17H,1-7H2.
What are the key properties of 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 316.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).