N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide

C21H23NO3S — CID 90497374

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3S/c1-15(2)16-10-12-18(13-11-16)26(24,25)22-14-21(23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21-23H,14H2,1-2H3
InChIKeyPFNCVFWVIFMYNJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.98
Rot. Bonds6

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 90497374) 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-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID90497374
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3S/c1-15(2)16-10-12-18(13-11-16)26(24,25)22-14-21(23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21-23H,14H2,1-2H3
InChIKeyPFNCVFWVIFMYNJ-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.98
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide (CID 90497374) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is PFNCVFWVIFMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-15(2)16-10-12-18(13-11-16)26(24,25)22-14-21(23)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21-23H,14H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.98, 6 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90497374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).