N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide

C11H7NO2S2 — CID 54080915

IUPACN-(sulfanylidenemethylidene)naphthalene-1-sulfonamide
SMILESO=S(=O)(N=C=S)c1cccc2ccccc12
InChIInChI=1S/C11H7NO2S2/c13-16(14,12-8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKeyMNBABEHJRLFNOF-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.63
Rot. Bonds2

About N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide

N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide (PubChem CID 54080915) has the molecular formula C11H7NO2S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(sulfanylidenemethylidene)naphthalene-1-sulfonamide
PubChem CID54080915
Molecular FormulaC11H7NO2S2
Molecular Weight249.32 g/mol
Exact Mass248.99
IUPAC NameN-(sulfanylidenemethylidene)naphthalene-1-sulfonamide
SMILESO=S(=O)(N=C=S)c1cccc2ccccc12
InChIInChI=1S/C11H7NO2S2/c13-16(14,12-8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKeyMNBABEHJRLFNOF-UHFFFAOYSA-N
XLogP2.63
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-benzylidenenaphthalene-1-sulfonamide
CID 15184776
naphthalene-1-sulfonic acid
CID 158712346
1-methylsulfonylnaphthalene
CID 11206535
azane;naphthalene-1-sulfonamide
CID 174765300
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138
methanamine;naphthalene-1-sulfonic acid
CID 174421353
1-(trichloromethylsulfonyl)naphthalene
CID 139626793
1-(2-fluorophenyl)sulfonylnaphthalene
CID 141142216

Frequently Asked Questions

What is the IUPAC name of N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide?
The IUPAC name of N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide (CID 54080915) is N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide?
The canonical SMILES for N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide is O=S(=O)(N=C=S)c1cccc2ccccc12.
What is the InChIKey of N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide?
The InChIKey is MNBABEHJRLFNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S2/c13-16(14,12-8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H.
What are the key properties of N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide?
N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide has a molecular weight of 249.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(sulfanylidenemethylidene)naphthalene-1-sulfonamide is sourced from PubChem (CID 54080915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).