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

C6H11F3N2O2S — CID 115582537

IUPACN-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5-10-14(12,13)11-3-1-2-4-11/h10H,1-5H2
InChIKeyPDHFZRNEMHPPLG-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.48
Rot. Bonds3

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

N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 115582537) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID115582537
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC NameN-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCCC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)5-10-14(12,13)11-3-1-2-4-11/h10H,1-5H2
InChIKeyPDHFZRNEMHPPLG-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 115582537) is N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PDHFZRNEMHPPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)5-10-14(12,13)11-3-1-2-4-11/h10H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115582537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).