N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide

C15H15ClF2N2O2S — CID 177376829

IUPACN-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15ClF2N2O2S/c1-20(9-15(19)10-3-2-4-11(16)5-10)23(21,22)14-7-12(17)6-13(18)8-14/h2-8,15H,9,19H2,1H3/t15-/m0/s1
InChIKeyFUEUHQDTXBNXGN-HNNXBMFYSA-N
MW360.81 g/mol
LogP2.94
Rot. Bonds5

About N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide

N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide (PubChem CID 177376829) has the molecular formula C15H15ClF2N2O2S and a molecular weight of 360.81 g/mol. Its IUPAC name is N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
PubChem CID177376829
Molecular FormulaC15H15ClF2N2O2S
Molecular Weight360.81 g/mol
Exact Mass360.05
IUPAC NameN-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H15ClF2N2O2S/c1-20(9-15(19)10-3-2-4-11(16)5-10)23(21,22)14-7-12(17)6-13(18)8-14/h2-8,15H,9,19H2,1H3/t15-/m0/s1
InChIKeyFUEUHQDTXBNXGN-HNNXBMFYSA-N
XLogP2.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-phenylethyl]-3-chlorobenzenesulfonamide
CID 49862578
N-[2-(azepan-1-yl)-2-phenylethyl]-3-chloro-4-fluorobenzenesulfonamide
CID 49862628
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
4-chloro-N-[2-phenyl-2-(1-piperazinyl)ethyl]benzenesulfonamide
CID 2831759
4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2948598
N-[2-(Azepan-1-YL)-2-phenylethyl]-4-chlorobenzene-1-sulfonamide
CID 23604915
4-Chloro-N-[2-(4-methylpiperidin-1-YL)-2-phenylethyl]benzene-1-sulfonamide
CID 23604916
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
CID 2325810
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
Azetidine derivative 1
CID 11167515
N-[1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-4-fluorobenzenesulfonamide
CID 72803415
N-[(2S)-2-amino-2-phenylethyl]-3,5-difluorobenzenesulfonamide
CID 171714590

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide (CID 177376829) is N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide is CN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
The InChIKey is FUEUHQDTXBNXGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O2S/c1-20(9-15(19)10-3-2-4-11(16)5-10)23(21,22)14-7-12(17)6-13(18)8-14/h2-8,15H,9,19H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide?
N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide has a molecular weight of 360.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-2-(3-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 177376829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).