4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide

C9H17F3N2O2S — CID 83058523

IUPAC4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCCN1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-17(15,16)14-7-8-3-1-5-13-8/h8,13-14H,1-7H2
InChIKeyLNBXUDQWNKKTNC-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.00
Rot. Bonds6

About 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide (PubChem CID 83058523) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide
PubChem CID83058523
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCCN1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-17(15,16)14-7-8-3-1-5-13-8/h8,13-14H,1-7H2
InChIKeyLNBXUDQWNKKTNC-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide (CID 83058523) is 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1CCCN1.
What is the InChIKey of 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is LNBXUDQWNKKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-17(15,16)14-7-8-3-1-5-13-8/h8,13-14H,1-7H2.
What are the key properties of 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(pyrrolidin-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 83058523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).