2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide

C10H18F3NO4S2 — CID 91643439

IUPAC2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO4S2/c1-19(15,16)6-7-20(17,18)14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyOVAREVOYEKOONJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.07
Rot. Bonds5

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

2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (PubChem CID 91643439) has the molecular formula C10H18F3NO4S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
PubChem CID91643439
Molecular FormulaC10H18F3NO4S2
Molecular Weight337.39 g/mol
Exact Mass337.06
IUPAC Name2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO4S2/c1-19(15,16)6-7-20(17,18)14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyOVAREVOYEKOONJ-UHFFFAOYSA-N
XLogP1.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (CID 91643439) is 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The InChIKey is OVAREVOYEKOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S2/c1-19(15,16)6-7-20(17,18)14-9-4-2-8(3-5-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide has a molecular weight of 337.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 91643439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).