1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide

C11H17F3N2O2S — CID 75454698

IUPAC1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3
InChIKeyBLBRBVNXMHOGLQ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.33
Rot. Bonds5

About 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide

1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 75454698) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID75454698
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3
InChIKeyBLBRBVNXMHOGLQ-UHFFFAOYSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 75454698) is 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC(C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is BLBRBVNXMHOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-2-9(7-15)19(17,18)16-10(11(12,13)14)8-5-3-4-6-8/h8-10,16H,2-6H2,1H3.
What are the key properties of 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide?
1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 75454698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).