N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide

C7H13F3N2O2S — CID 65418544

IUPACN-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)2-4-12-15(13,14)6-1-3-11-5-6/h6,11-12H,1-5H2
InChIKeyLSCFNJBFWPTSGY-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.22
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide

N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide (PubChem CID 65418544) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide
PubChem CID65418544
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)2-4-12-15(13,14)6-1-3-11-5-6/h6,11-12H,1-5H2
InChIKeyLSCFNJBFWPTSGY-UHFFFAOYSA-N
XLogP0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide (CID 65418544) is N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide is O=S(=O)(NCCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide?
The InChIKey is LSCFNJBFWPTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)2-4-12-15(13,14)6-1-3-11-5-6/h6,11-12H,1-5H2.
What are the key properties of N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide?
N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65418544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).