N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

C12H22F3NO3S — CID 83059564

IUPACN-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C12H22F3NO3S/c13-12(14,15)7-4-10-20(18,19)16(8-9-17)11-5-2-1-3-6-11/h11,17H,1-10H2
InChIKeyYJYNSCRSVLRAAP-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.29
Rot. Bonds7

About N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 83059564) has the molecular formula C12H22F3NO3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID83059564
Molecular FormulaC12H22F3NO3S
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC NameN-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)C1CCCCC1
InChIInChI=1S/C12H22F3NO3S/c13-12(14,15)7-4-10-20(18,19)16(8-9-17)11-5-2-1-3-6-11/h11,17H,1-10H2
InChIKeyYJYNSCRSVLRAAP-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 83059564) is N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is YJYNSCRSVLRAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3S/c13-12(14,15)7-4-10-20(18,19)16(8-9-17)11-5-2-1-3-6-11/h11,17H,1-10H2.
What are the key properties of N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 83059564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).