2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide

C12H22F3NO3S — CID 75535712

IUPAC2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO3S/c1-9(2)19-7-8-20(17,18)16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyFCHPDFKSLDOVDV-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.45
Rot. Bonds6

About 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide

2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (PubChem CID 75535712) has the molecular formula C12H22F3NO3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
PubChem CID75535712
Molecular FormulaC12H22F3NO3S
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO3S/c1-9(2)19-7-8-20(17,18)16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyFCHPDFKSLDOVDV-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (CID 75535712) is 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The InChIKey is FCHPDFKSLDOVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3S/c1-9(2)19-7-8-20(17,18)16-11-5-3-10(4-6-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 75535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).