5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide

C19H20N2O3S — CID 122149480

IUPAC5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(O)c1
InChIInChI=1S/C19H20N2O3S/c1-13-10-11-16(18(22)12-13)20-25(23,24)19-9-5-6-14-15(19)7-4-8-17(14)21(2)3/h4-12,20,22H,1-3H3
InChIKeyKXTSOBFOMVGVDQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.72
Rot. Bonds4

About 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide (PubChem CID 122149480) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
PubChem CID122149480
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(O)c1
InChIInChI=1S/C19H20N2O3S/c1-13-10-11-16(18(22)12-13)20-25(23,24)19-9-5-6-14-15(19)7-4-8-17(14)21(2)3/h4-12,20,22H,1-3H3
InChIKeyKXTSOBFOMVGVDQ-UHFFFAOYSA-N
XLogP3.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.72
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-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
CID 3795754
5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 10282258
[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-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052
N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10833400
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 10404449
N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645779

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide (CID 122149480) is 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide?
The InChIKey is KXTSOBFOMVGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-10-11-16(18(22)12-13)20-25(23,24)19-9-5-6-14-15(19)7-4-8-17(14)21(2)3/h4-12,20,22H,1-3H3.
What are the key properties of 5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.72, 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-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 122149480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).