1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide

C13H17F3N2O2S — CID 20566039

IUPAC1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide
SMILESCc1ccc(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-10-5-6-11(18-7-3-2-4-8-18)9-12(10)17-21(19,20)13(14,15)16/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyKXZFSXQYGMQDQA-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.25
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 20566039) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID20566039
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide
SMILESCc1ccc(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-10-5-6-11(18-7-3-2-4-8-18)9-12(10)17-21(19,20)13(14,15)16/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyKXZFSXQYGMQDQA-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide (CID 20566039) is 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide is Cc1ccc(N2CCCCC2)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is KXZFSXQYGMQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-10-5-6-11(18-7-3-2-4-8-18)9-12(10)17-21(19,20)13(14,15)16/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methyl-5-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 20566039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).