N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide

C10H17F3N2O3S — CID 136519936

IUPACN-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O3S/c1-2-14-19(17,18)8-4-6-15(7-8)9(16)3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyQRTWGGQWVILBDM-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.87
Rot. Bonds5

About N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide

N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide (PubChem CID 136519936) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
PubChem CID136519936
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC NameN-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O3S/c1-2-14-19(17,18)8-4-6-15(7-8)9(16)3-5-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyQRTWGGQWVILBDM-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide (CID 136519936) is N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide?
The InChIKey is QRTWGGQWVILBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-2-14-19(17,18)8-4-6-15(7-8)9(16)3-5-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide?
N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide has a molecular weight of 302.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 136519936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).