N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide

C22H23NO3S — CID 154720446

IUPACN-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H23NO3S/c24-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23-27(25,26)17-19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22+/m1/s1
InChIKeyXMSJUAVRZQSTDX-YADHBBJMSA-N
MW381.50 g/mol
LogP3.45
Rot. Bonds8

About N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide

N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide (PubChem CID 154720446) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide
PubChem CID154720446
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H23NO3S/c24-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23-27(25,26)17-19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22+/m1/s1
InChIKeyXMSJUAVRZQSTDX-YADHBBJMSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Norephedrine, sulfate
CID 76966052
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
1-(3-fluorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765478
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecane-1-sulfonamide
CID 71458408
N-[2-hydroxy-2-(4-methylphenyl)ethyl]dodecane-1-sulfonamide
CID 71460250
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
CID 21426687
N-(2-hydroxy-3-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765290
1-(3-cyanophenyl)-N-(3-hydroxy-3-phenylpropyl)methanesulfonamide
CID 71911243
1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 71911313
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 75387105
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide (CID 154720446) is N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide?
The InChIKey is XMSJUAVRZQSTDX-YADHBBJMSA-N. The full InChI is InChI=1S/C22H23NO3S/c24-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23-27(25,26)17-19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22+/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide?
N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1,3-diphenylpropan-2-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154720446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).