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

C19H19NO3S — CID 90497351

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO3S/c1-14-9-11-16(12-10-14)24(22,23)20-13-19(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19-21H,13H2,1H3
InChIKeyQXTKMXBMAVJHFL-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.16
Rot. Bonds5

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

N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide (PubChem CID 90497351) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
PubChem CID90497351
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO3S/c1-14-9-11-16(12-10-14)24(22,23)20-13-19(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19-21H,13H2,1H3
InChIKeyQXTKMXBMAVJHFL-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.16
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-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide (CID 90497351) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide?
The InChIKey is QXTKMXBMAVJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-9-11-16(12-10-14)24(22,23)20-13-19(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19-21H,13H2,1H3.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.16, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 90497351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).