5-sulfanylnaphthalene-1-sulfonamide

C10H9NO2S2 — CID 67168199

IUPAC5-sulfanylnaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c(S)cccc12
InChIInChI=1S/C10H9NO2S2/c11-15(12,13)10-6-2-3-7-8(10)4-1-5-9(7)14/h1-6,14H,(H2,11,12,13)
InChIKeyBWZXYGGZKAHMDR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.78
Rot. Bonds1

About 5-sulfanylnaphthalene-1-sulfonamide

5-sulfanylnaphthalene-1-sulfonamide (PubChem CID 67168199) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-sulfanylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-sulfanylnaphthalene-1-sulfonamide
PubChem CID67168199
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name5-sulfanylnaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c(S)cccc12
InChIInChI=1S/C10H9NO2S2/c11-15(12,13)10-6-2-3-7-8(10)4-1-5-9(7)14/h1-6,14H,(H2,11,12,13)
InChIKeyBWZXYGGZKAHMDR-UHFFFAOYSA-N
XLogP1.78
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylbenzenesulfonamide
CID 11041532
2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
azane;naphthalene-1-sulfonamide
CID 174765300
5-(propan-2-ylamino)naphthalene-1-sulfonamide
CID 174372810
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium
CID 163620983
2-diazonio-5-sulfamoylnaphthalen-1-olate
CID 19805275
5-[[4-(trifluoromethyl)phenyl]methylideneamino]naphthalene-1-sulfonamide
CID 102382517
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
9H-carbazole-1-sulfonamide
CID 18617392
dibenzothiophene-4-sulfonamide
CID 150056476
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114

Frequently Asked Questions

What is the IUPAC name of 5-sulfanylnaphthalene-1-sulfonamide?
The IUPAC name of 5-sulfanylnaphthalene-1-sulfonamide (CID 67168199) is 5-sulfanylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-sulfanylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-sulfanylnaphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2c(S)cccc12.
What is the InChIKey of 5-sulfanylnaphthalene-1-sulfonamide?
The InChIKey is BWZXYGGZKAHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c11-15(12,13)10-6-2-3-7-8(10)4-1-5-9(7)14/h1-6,14H,(H2,11,12,13).
What are the key properties of 5-sulfanylnaphthalene-1-sulfonamide?
5-sulfanylnaphthalene-1-sulfonamide has a molecular weight of 239.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylnaphthalene-1-sulfonamide is sourced from PubChem (CID 67168199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).