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

C21H23NO3S — CID 90497371

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3S/c1-2-6-16-11-13-18(14-12-16)26(24,25)22-15-21(23)20-10-5-8-17-7-3-4-9-19(17)20/h3-5,7-14,21-23H,2,6,15H2,1H3
InChIKeyMAPUXTUVQNTECL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.80
Rot. Bonds7

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

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide (PubChem CID 90497371) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide
PubChem CID90497371
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3S/c1-2-6-16-11-13-18(14-12-16)26(24,25)22-15-21(23)20-10-5-8-17-7-3-4-9-19(17)20/h3-5,7-14,21-23H,2,6,15H2,1H3
InChIKeyMAPUXTUVQNTECL-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide (CID 90497371) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide?
The InChIKey is MAPUXTUVQNTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-2-6-16-11-13-18(14-12-16)26(24,25)22-15-21(23)20-10-5-8-17-7-3-4-9-19(17)20/h3-5,7-14,21-23H,2,6,15H2,1H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 90497371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).