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

C21H24F4N2O2S — CID 53318842

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F4N2O2S/c1-27(30(28,29)21-9-5-16(23)12-19(21)25)17-6-2-13(3-7-17)20(26)11-14-10-15(22)4-8-18(14)24/h4-5,8-10,12-13,17,20H,2-3,6-7,11,26H2,1H3/t13?,17?,20-/m1/s1
InChIKeyPHMVETVDLLQURM-RJGDCVCESA-N
MW444.49 g/mol
LogP3.99
Rot. Bonds6

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

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 53318842) has the molecular formula C21H24F4N2O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID53318842
Molecular FormulaC21H24F4N2O2S
Molecular Weight444.49 g/mol
Exact Mass444.15
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H24F4N2O2S/c1-27(30(28,29)21-9-5-16(23)12-19(21)25)17-6-2-13(3-7-17)20(26)11-14-10-15(22)4-8-18(14)24/h4-5,8-10,12-13,17,20H,2-3,6-7,11,26H2,1H3/t13?,17?,20-/m1/s1
InChIKeyPHMVETVDLLQURM-RJGDCVCESA-N
XLogP3.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide (CID 53318842) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide is CN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is PHMVETVDLLQURM-RJGDCVCESA-N. The full InChI is InChI=1S/C21H24F4N2O2S/c1-27(30(28,29)21-9-5-16(23)12-19(21)25)17-6-2-13(3-7-17)20(26)11-14-10-15(22)4-8-18(14)24/h4-5,8-10,12-13,17,20H,2-3,6-7,11,26H2,1H3/t13?,17?,20-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 444.49 g/mol, XLogP of 3.99, 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]-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 53318842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).