5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide

C18H18N2O3S — CID 25048383

IUPAC5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3O)cccc12
InChIInChI=1S/C18H18N2O3S/c1-20(2)16-10-5-8-14-13(16)7-6-12-18(14)24(22,23)19-15-9-3-4-11-17(15)21/h3-12,19,21H,1-2H3
InChIKeyOYEZKLOTZUMGMM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.41
Rot. Bonds4

About 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide (PubChem CID 25048383) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
PubChem CID25048383
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3O)cccc12
InChIInChI=1S/C18H18N2O3S/c1-20(2)16-10-5-8-14-13(16)7-6-12-18(14)24(22,23)19-15-9-3-4-11-17(15)21/h3-12,19,21H,1-2H3
InChIKeyOYEZKLOTZUMGMM-UHFFFAOYSA-N
XLogP3.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
CID 122149480
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide (CID 25048383) is 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3O)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide?
The InChIKey is OYEZKLOTZUMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-20(2)16-10-5-8-14-13(16)7-6-12-18(14)24(22,23)19-15-9-3-4-11-17(15)21/h3-12,19,21H,1-2H3.
What are the key properties of 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 25048383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).