N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide

C20H21NO3S — CID 56764139

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)15-21-25(23,24)14-13-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2
InChIKeyWRMJFOUNBWJKMI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.04
Rot. Bonds7

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide (PubChem CID 56764139) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide
PubChem CID56764139
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)15-21-25(23,24)14-13-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2
InChIKeyWRMJFOUNBWJKMI-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(naphthalen-1-yl)ethan-1-ol
CID 16768136
(1R,2R)-3-Amino-2-naphthalen-2-yl-1-phenyl-propan-1-ol; hydrochloride
CID 10107559
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 69454235
2-Amino-1-(phenanthren-2-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 113857
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
N-(2-hydroxy-3-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765290
1-(3-cyanophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]methanesulfonamide
CID 71911313
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
N-(2-hydroxy-2-phenylpropyl)-1-(m-tolyl)methanesulfonamide
CID 56765378
N-(3-hydroxy-3-(naphthalen-1-yl)propyl)-1-phenylmethanesulfonamide
CID 71787945
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)naphthalene-1-sulfonamide
CID 71803865

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide (CID 56764139) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide?
The InChIKey is WRMJFOUNBWJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-20(19-12-6-10-17-9-4-5-11-18(17)19)15-21-25(23,24)14-13-16-7-2-1-3-8-16/h1-12,20-22H,13-15H2.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 56764139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).