5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide

C20H22N2O3S — CID 5187282

IUPAC5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
SMILESCc1cc(C)c(O)c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1
InChIInChI=1S/C20H22N2O3S/c1-13-11-14(2)20(23)17(12-13)21-26(24,25)19-10-6-7-15-16(19)8-5-9-18(15)22(3)4/h5-12,21,23H,1-4H3
InChIKeyOSUCRDCGWJFZBB-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.03
Rot. Bonds4

About 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide (PubChem CID 5187282) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
PubChem CID5187282
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
SMILESCc1cc(C)c(O)c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1
InChIInChI=1S/C20H22N2O3S/c1-13-11-14(2)20(23)17(12-13)21-26(24,25)19-10-6-7-15-16(19)8-5-9-18(15)22(3)4/h5-12,21,23H,1-4H3
InChIKeyOSUCRDCGWJFZBB-UHFFFAOYSA-N
XLogP4.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.03
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-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
CID 3795754
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
CID 25043994
N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10833400
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
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-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide (CID 5187282) is 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide is Cc1cc(C)c(O)c(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1.
What is the InChIKey of 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide?
The InChIKey is OSUCRDCGWJFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-11-14(2)20(23)17(12-13)21-26(24,25)19-10-6-7-15-16(19)8-5-9-18(15)22(3)4/h5-12,21,23H,1-4H3.
What are the key properties of 5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.03, 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-3,5-dimethylphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 5187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).