N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

C10H18F3NO2S — CID 61383798

IUPACN-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyQYOPKMVMEWXTJF-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 61383798) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID61383798
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyQYOPKMVMEWXTJF-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (CID 61383798) is N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is QYOPKMVMEWXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-7-17(15,16)14-9-6-4-3-5-8(9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 61383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).