N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide

C21H23NO4S — CID 90497393

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO4S/c1-2-14-26-17-10-12-18(13-11-17)27(24,25)22-15-21(23)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21-23H,2,14-15H2,1H3
InChIKeyWMXFIWPJOQQBBM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.64
Rot. Bonds8

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide (PubChem CID 90497393) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
PubChem CID90497393
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO4S/c1-2-14-26-17-10-12-18(13-11-17)27(24,25)22-15-21(23)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21-23H,2,14-15H2,1H3
InChIKeyWMXFIWPJOQQBBM-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
CID 121179927
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide (CID 90497393) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide?
The InChIKey is WMXFIWPJOQQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-2-14-26-17-10-12-18(13-11-17)27(24,25)22-15-21(23)20-9-5-7-16-6-3-4-8-19(16)20/h3-13,21-23H,2,14-15H2,1H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 90497393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).