N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide

C12H22F3NO2S — CID 18360967

IUPACN-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCC1CCCCC1
InChIInChI=1S/C12H22F3NO2S/c13-12(14,15)8-4-10-19(17,18)16-9-7-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyCDOWJTYHIJLGME-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds7

About N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 18360967) has the molecular formula C12H22F3NO2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID18360967
Molecular FormulaC12H22F3NO2S
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC NameN-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCC1CCCCC1
InChIInChI=1S/C12H22F3NO2S/c13-12(14,15)8-4-10-19(17,18)16-9-7-11-5-2-1-3-6-11/h11,16H,1-10H2
InChIKeyCDOWJTYHIJLGME-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
Cyclohexyl-3-amino-1-propanesulfonic acid
CID 54166191
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
(2R,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11564958
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
3-Amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11608402
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(2S,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11651638
(2R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11658760
(2R,3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11687341
3-Amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11694544

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 18360967) is N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is CDOWJTYHIJLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2S/c13-12(14,15)8-4-10-19(17,18)16-9-7-11-5-2-1-3-6-11/h11,16H,1-10H2.
What are the key properties of N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 18360967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).