N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide

C19H19NO3S — CID 56941567

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3S/c1-3-20(19-13-17(21)10-8-14(19)2)24(22,23)18-11-9-15-6-4-5-7-16(15)12-18/h4-13,21H,3H2,1-2H3
InChIKeyAXCXZIDLHPAEIV-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.07
Rot. Bonds4

About N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide (PubChem CID 56941567) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide
PubChem CID56941567
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO3S/c1-3-20(19-13-17(21)10-8-14(19)2)24(22,23)18-11-9-15-6-4-5-7-16(15)12-18/h4-13,21H,3H2,1-2H3
InChIKeyAXCXZIDLHPAEIV-UHFFFAOYSA-N
XLogP4.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide (CID 56941567) is N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide is CCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide?
The InChIKey is AXCXZIDLHPAEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-3-20(19-13-17(21)10-8-14(19)2)24(22,23)18-11-9-15-6-4-5-7-16(15)12-18/h4-13,21H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 56941567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).