N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide

C10H18F3NO2S — CID 61356176

IUPACN-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyRRRTUSCWSUXQCO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds3

About N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide

N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 61356176) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
PubChem CID61356176
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyRRRTUSCWSUXQCO-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide (CID 61356176) is N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is RRRTUSCWSUXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-7(2)17(15,16)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide?
N-[4-(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-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 61356176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).