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

C20H21NO3S — CID 90497355

IUPAC4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO3S/c1-2-15-10-12-17(13-11-15)25(23,24)21-14-20(22)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20-22H,2,14H2,1H3
InChIKeyYQBYRPYHDGVBRS-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.41
Rot. Bonds6

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

4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 90497355) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID90497355
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO3S/c1-2-15-10-12-17(13-11-15)25(23,24)21-14-20(22)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20-22H,2,14H2,1H3
InChIKeyYQBYRPYHDGVBRS-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 90497355) is 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is YQBYRPYHDGVBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-2-15-10-12-17(13-11-15)25(23,24)21-14-20(22)19-9-5-7-16-6-3-4-8-18(16)19/h3-13,20-22H,2,14H2,1H3.
What are the key properties of 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90497355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).