4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide

C11H21F3N2O2S — CID 83068394

IUPAC4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-2-7-16(10-4-6-15-9-10)19(17,18)8-3-5-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyYUTKNNQDWPSDBJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.73
Rot. Bonds7

About 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide

4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (PubChem CID 83068394) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
PubChem CID83068394
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c1-2-7-16(10-4-6-15-9-10)19(17,18)8-3-5-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyYUTKNNQDWPSDBJ-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide (CID 83068394) is 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is CCCN(C1CCNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The InChIKey is YUTKNNQDWPSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-7-16(10-4-6-15-9-10)19(17,18)8-3-5-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-N-pyrrolidin-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 83068394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).