N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C22H25F5N2O2S — CID 53326691

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H25F5N2O2S/c1-29(32(30,31)21-5-3-2-4-18(21)22(25,26)27)17-9-6-14(7-10-17)20(28)13-15-12-16(23)8-11-19(15)24/h2-5,8,11-12,14,17,20H,6-7,9-10,13,28H2,1H3/t14?,17?,20-/m1/s1
InChIKeyAAMGFBVEDVRXBV-CODVMQSSSA-N
MW476.51 g/mol
LogP4.73
Rot. Bonds6

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 53326691) has the molecular formula C22H25F5N2O2S and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID53326691
Molecular FormulaC22H25F5N2O2S
Molecular Weight476.51 g/mol
Exact Mass476.16
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H25F5N2O2S/c1-29(32(30,31)21-5-3-2-4-18(21)22(25,26)27)17-9-6-14(7-10-17)20(28)13-15-12-16(23)8-11-19(15)24/h2-5,8,11-12,14,17,20H,6-7,9-10,13,28H2,1H3/t14?,17?,20-/m1/s1
InChIKeyAAMGFBVEDVRXBV-CODVMQSSSA-N
XLogP4.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
CID 55201286
1-cyclopropyl-2-[2-(trifluoromethyl)phenyl]sulfonylethanamine
CID 106584748
(1R)-1-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(2,5-difluorophenyl)ethanamine
CID 59009391
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
[4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 59009327
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
N-(2-bromoethyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
CID 80667364
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 53326691) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AAMGFBVEDVRXBV-CODVMQSSSA-N. The full InChI is InChI=1S/C22H25F5N2O2S/c1-29(32(30,31)21-5-3-2-4-18(21)22(25,26)27)17-9-6-14(7-10-17)20(28)13-15-12-16(23)8-11-19(15)24/h2-5,8,11-12,14,17,20H,6-7,9-10,13,28H2,1H3/t14?,17?,20-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 476.51 g/mol, XLogP of 4.73, 6 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-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 53326691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).