N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide

C10H18F3NO2S — CID 61355499

IUPACN-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-4-8(6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyYMYWJRIVFPIZFY-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds3

About N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide

N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 61355499) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
PubChem CID61355499
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-4-8(6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyYMYWJRIVFPIZFY-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920322
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
(2R,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11564958
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
3-Amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11608402
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(2S,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11651638
(2R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11658760

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide (CID 61355499) is N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is YMYWJRIVFPIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-4-8(6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 61355499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).