1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide

C9H16F3NO2S — CID 143893294

IUPAC1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
SMILESCC1CCCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQWYJQNOZZYREQF-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.39
Rot. Bonds2

About 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide (PubChem CID 143893294) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
PubChem CID143893294
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
SMILESCC1CCCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQWYJQNOZZYREQF-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide (CID 143893294) is 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide is CC1CCCCCC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide?
The InChIKey is QWYJQNOZZYREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-7-5-3-2-4-6-8(7)13-16(14,15)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide is sourced from PubChem (CID 143893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).