5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide

C18H17FN2O3S — CID 3567584

IUPAC5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(O)cc3F)cccc12
InChIInChI=1S/C18H17FN2O3S/c1-21(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)20-16-10-9-12(22)11-15(16)19/h3-11,20,22H,1-2H3
InChIKeyJKHBVZVGZDXHDK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.55
Rot. Bonds4

About 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide (PubChem CID 3567584) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide
PubChem CID3567584
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(O)cc3F)cccc12
InChIInChI=1S/C18H17FN2O3S/c1-21(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)20-16-10-9-12(22)11-15(16)19/h3-11,20,22H,1-2H3
InChIKeyJKHBVZVGZDXHDK-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide (CID 3567584) is 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(O)cc3F)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide?
The InChIKey is JKHBVZVGZDXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-21(2)17-7-3-6-14-13(17)5-4-8-18(14)25(23,24)20-16-10-9-12(22)11-15(16)19/h3-11,20,22H,1-2H3.
What are the key properties of 5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.55, 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-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3567584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).