N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide

C9H16F3NO2S — CID 61356177

IUPACN-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2S/c1-2-16(14,15)13-8-5-3-7(4-6-8)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLDWLSYXZSRDXTJ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.05
Rot. Bonds3

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

N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (PubChem CID 61356177) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
PubChem CID61356177
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2S/c1-2-16(14,15)13-8-5-3-7(4-6-8)9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyLDWLSYXZSRDXTJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.05
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]ethanesulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide (CID 61356177) is N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
The InChIKey is LDWLSYXZSRDXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-2-16(14,15)13-8-5-3-7(4-6-8)9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide?
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.05, 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]ethanesulfonamide is sourced from PubChem (CID 61356177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).