N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide

C21H23NO3S — CID 90497373

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H23NO3S/c1-14-11-16(3)21(12-15(14)2)26(24,25)22-13-20(23)19-10-6-8-17-7-4-5-9-18(17)19/h4-12,20,22-23H,13H2,1-3H3
InChIKeyCKQJMRQOPLLNHO-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.78
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide (PubChem CID 90497373) 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)-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide
PubChem CID90497373
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1C
InChIInChI=1S/C21H23NO3S/c1-14-11-16(3)21(12-15(14)2)26(24,25)22-13-20(23)19-10-6-8-17-7-4-5-9-18(17)19/h4-12,20,22-23H,13H2,1-3H3
InChIKeyCKQJMRQOPLLNHO-UHFFFAOYSA-N
XLogP3.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.78
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)-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide (CID 90497373) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is CKQJMRQOPLLNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-14-11-16(3)21(12-15(14)2)26(24,25)22-13-20(23)19-10-6-8-17-7-4-5-9-18(17)19/h4-12,20,22-23H,13H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.78, 5 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)-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 90497373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).