4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

C20H21NO4S — CID 56764144

IUPAC4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO4S/c1-2-25-16-10-12-17(13-11-16)26(23,24)21-14-20(22)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-22H,2,14H2,1H3
InChIKeyFJTFTHCDFGMDOS-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.25
Rot. Bonds7

About 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 56764144) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID56764144
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO4S/c1-2-25-16-10-12-17(13-11-16)26(23,24)21-14-20(22)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-22H,2,14H2,1H3
InChIKeyFJTFTHCDFGMDOS-UHFFFAOYSA-N
XLogP3.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
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-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
CID 63298619
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 56764144) is 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is FJTFTHCDFGMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-2-25-16-10-12-17(13-11-16)26(23,24)21-14-20(22)19-9-5-7-15-6-3-4-8-18(15)19/h3-13,20-22H,2,14H2,1H3.
What are the key properties of 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 56764144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).