N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
Basic information
- CAS
65595-90-6- Standard SMILES
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12- InChIKey
IDEHCMNLNCJQST-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O2S
- Average molar mass
- 340.9 g/mol
- Monoisotopic mass
- 340.1012268
Names & identifiers
- Preferred name
- N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
- IUPAC
- N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
- English name
- W 7
- Molecular formula
- C16H21ClN2O2S
- Molecular weight
- 340.87
Names & synonyms
N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE65595-90-6RefChem:162258N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide1-NAPHTHALENESULFONAMIDE, N-(6-AMINOHEXYL)-5-CHLORO-W 7W-7CHEMBL41631N-AMINOHEXYL-5-CHLORO-1-NAPTHALENESULFONAMIDE HYDROCHLORIDEN-(6-Aminohexyl)-5-chloro-1-naphthalenesulphonamideSpectrum_000286DTXSID80984172
Show more names
W7 (pharmaceutical)[6-[[(5-Chloronaphthalen-1-yl)sulfonyl]amino]hexyl]amine
IDEHCMNLNCJQST-UHFFFAOYSA-N1-Naphthalenesulfonamide, N-(6-aminohexyl)-5-chloro-, monohydrochlorideBRN 2888957Spectrum_001450Tocris-0369starbld0016247Spectrum2_001569Spectrum3_001600
Database identifiers
- CAS
65595-90-6- PubChem CID
- 5681
- DTXSID
DTXSID80984172- ChEMBL
CHEMBL41631、CHEMBL513116- Nikkaji
- J23.618G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
Physicochemical properties
- Boiling point
- 518.8 · 518.8±56.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 11.25 · 11.25±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs used to cause dilation of the blood vessels.
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Compound notes
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