N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide

C19H19NO3S — CID 95367209

IUPACN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NO3S/c1-14-6-4-9-16(12-14)24(22,23)20-13-19(21)18-11-5-8-15-7-2-3-10-17(15)18/h2-12,19-21H,13H2,1H3/t19-/m1/s1
InChIKeyFQQWSTJGVMFWSP-LJQANCHMSA-N
MW341.43 g/mol
LogP3.16
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide (PubChem CID 95367209) 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]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
PubChem CID95367209
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NO3S/c1-14-6-4-9-16(12-14)24(22,23)20-13-19(21)18-11-5-8-15-7-2-3-10-17(15)18/h2-12,19-21H,13H2,1H3/t19-/m1/s1
InChIKeyFQQWSTJGVMFWSP-LJQANCHMSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 90535146
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497359
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide (CID 95367209) is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide?
The InChIKey is FQQWSTJGVMFWSP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-6-4-9-16(12-14)24(22,23)20-13-19(21)18-11-5-8-15-7-2-3-10-17(15)18/h2-12,19-21H,13H2,1H3/t19-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide?
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.16, 5 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]-3-methylbenzenesulfonamide is sourced from PubChem (CID 95367209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).