Basic information
- CAS
79458-81-4- Standard SMILES
NCCCCCCNS(=O)(=O)c1cccc2ccccc12- InChIKey
FVJRBJIENDRNBE-UHFFFAOYSA-N- Molecular formula
- C16H22N2O2S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.14019912
Names & identifiers
- Preferred name
- N-(6-Aminohexyl)-1-naphthalenesulfonamide
- IUPAC
- N-(6-aminohexyl)naphthalene-1-sulfonamide
- English name
- N-(6-aminohexyl)-1-naphthalenesulfonamide
- Molecular formula
- C16H22N2O2S
- Molecular weight
- 306.42
Names & synonyms
N-(6-Aminohexyl)-1-Naphthalenesulfonamide79458-81-47B979CWO03RefChem:162256N-(6-aminohexyl)naphthalene-1-sulfonamideW-5CHEMBL536325UNII-7B979CWO031-Naphthalenesulfonamide, N-(6-aminohexyl)-Tocris-0368naphthalene-1-sulfonic acid (6-aminohexyl)-amideSCHEMBL413671
Show more names
W-5【pharmaceutical】
CHEMBL1188431SCHEMBL30306219CHEBI:92739FVJRBJIENDRNBE-UHFFFAOYSA-NDTXSID301000494KUC110440NBDBM50225494HSCI1_000203
Database identifiers
- CAS
79458-81-4- PubChem CID
- 4314
- DTXSID
DTXSID301000494- ChEMBL
CHEMBL1188431、CHEMBL536325- ChEBI
CHEBI:92739- UNII
- 7B979CWO03
- Nikkaji
- J325.871H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 493.2 · 493.2±47.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.40(Predicted)
- FDA UNII
- 7 B979CWO03 · 7B979CWO03
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Additional notes
DefinitionChEBI: N-(6-aminohexyl)-1-naphthalenesulfonamide is a member of naphthalenes and a sulfonic acid derivative.
Related reactions
7 records
Compound notes
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