N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide

C17H21NO3S — CID 56765289

IUPACN-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c19-17(13-16-9-5-2-6-10-16)14-18-22(20,21)12-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyYPFQQVYSEYHBBG-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.75
Rot. Bonds8

About N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide

N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide (PubChem CID 56765289) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide
PubChem CID56765289
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H21NO3S/c19-17(13-16-9-5-2-6-10-16)14-18-22(20,21)12-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2
InChIKeyYPFQQVYSEYHBBG-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
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
[1,1'-Biphenyl]-4-sulfonamide, N-(6-hydroxyhexyl)-
CID 16094718
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-3-phenylpropyl)methanesulfonamide
CID 71911353
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 75387105

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide (CID 56765289) is N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide?
The InChIKey is YPFQQVYSEYHBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c19-17(13-16-9-5-2-6-10-16)14-18-22(20,21)12-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide?
N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 56765289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).