N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide

C14H21F6NO3S — CID 59067567

IUPACN-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide
SMILESCC(=O)NC(CCC(C(F)(F)F)C(F)(F)F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H21F6NO3S/c1-9(22)21-12(25(23,24)10-5-3-2-4-6-10)8-7-11(13(15,16)17)14(18,19)20/h10-12H,2-8H2,1H3,(H,21,22)
InChIKeyANLGAAYVORNEJE-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.72
Rot. Bonds6

About N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide

N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide (PubChem CID 59067567) has the molecular formula C14H21F6NO3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide.

Molecular Properties

Compound NameN-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide
PubChem CID59067567
Molecular FormulaC14H21F6NO3S
Molecular Weight397.38 g/mol
Exact Mass397.11
IUPAC NameN-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide
SMILESCC(=O)NC(CCC(C(F)(F)F)C(F)(F)F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H21F6NO3S/c1-9(22)21-12(25(23,24)10-5-3-2-4-6-10)8-7-11(13(15,16)17)14(18,19)20/h10-12H,2-8H2,1H3,(H,21,22)
InChIKeyANLGAAYVORNEJE-UHFFFAOYSA-N
XLogP3.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide?
The IUPAC name of N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide (CID 59067567) is N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide.
What is the SMILES notation for N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide?
The canonical SMILES for N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide is CC(=O)NC(CCC(C(F)(F)F)C(F)(F)F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide?
The InChIKey is ANLGAAYVORNEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6NO3S/c1-9(22)21-12(25(23,24)10-5-3-2-4-6-10)8-7-11(13(15,16)17)14(18,19)20/h10-12H,2-8H2,1H3,(H,21,22).
What are the key properties of N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide?
N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide has a molecular weight of 397.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide is sourced from PubChem (CID 59067567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).