N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide

C19H27F5N2O2S — CID 53324293

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(F)(F)F)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F5N2O2S/c1-29(27,28)26(10-2-9-19(22,23)24)16-6-3-13(4-7-16)18(25)12-14-11-15(20)5-8-17(14)21/h5,8,11,13,16,18H,2-4,6-7,9-10,12,25H2,1H3/t13?,16?,18-/m1/s1
InChIKeyWBUYZLAIVPLMAB-PVCYVWKFSA-N
MW442.49 g/mol
LogP4.00
Rot. Bonds8

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide (PubChem CID 53324293) has the molecular formula C19H27F5N2O2S and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide
PubChem CID53324293
Molecular FormulaC19H27F5N2O2S
Molecular Weight442.49 g/mol
Exact Mass442.17
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCCC(F)(F)F)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F5N2O2S/c1-29(27,28)26(10-2-9-19(22,23)24)16-6-3-13(4-7-16)18(25)12-14-11-15(20)5-8-17(14)21/h5,8,11,13,16,18H,2-4,6-7,9-10,12,25H2,1H3/t13?,16?,18-/m1/s1
InChIKeyWBUYZLAIVPLMAB-PVCYVWKFSA-N
XLogP4.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 53318842
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethylmethanesulfonamide
CID 53321487
trans-(R)-2-(2,5-difluorophenyl)-1-(4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl)ethanamine
CID 53321496
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylbenzenesulfonamide
CID 53321621
trans-4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 53324154
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 53326691
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 70696191
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-benzylmethanesulfonamide
CID 53326705
N-[2-(2'-Fluoro-4-biphenylyl)propyl]trifluoromethanesulfonamide
CID 10618573

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide (CID 53324293) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide is CS(=O)(=O)N(CCCC(F)(F)F)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide?
The InChIKey is WBUYZLAIVPLMAB-PVCYVWKFSA-N. The full InChI is InChI=1S/C19H27F5N2O2S/c1-29(27,28)26(10-2-9-19(22,23)24)16-6-3-13(4-7-16)18(25)12-14-11-15(20)5-8-17(14)21/h5,8,11,13,16,18H,2-4,6-7,9-10,12,25H2,1H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide has a molecular weight of 442.49 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-(4,4,4-trifluorobutyl)methanesulfonamide is sourced from PubChem (CID 53324293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).