N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide

C19H19NO3S — CID 95367211

IUPACN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-19(18-12-6-10-16-9-4-5-11-17(16)18)13-20-24(22,23)14-15-7-2-1-3-8-15/h1-12,19-21H,13-14H2/t19-/m1/s1
InChIKeyMONDUVVLSVCJBR-LJQANCHMSA-N
MW341.43 g/mol
LogP2.99
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide (PubChem CID 95367211) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
PubChem CID95367211
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C19H19NO3S/c21-19(18-12-6-10-16-9-4-5-11-17(16)18)13-20-24(22,23)14-15-7-2-1-3-8-15/h1-12,19-21H,13-14H2/t19-/m1/s1
InChIKeyMONDUVVLSVCJBR-LJQANCHMSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497359
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 90535158
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide (CID 95367211) is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide?
The InChIKey is MONDUVVLSVCJBR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO3S/c21-19(18-12-6-10-16-9-4-5-11-17(16)18)13-20-24(22,23)14-15-7-2-1-3-8-15/h1-12,19-21H,13-14H2/t19-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide?
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 95367211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).