Basic information
- CAS
81705-04-6- Standard SMILES
NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1- InChIKey
JJQKICOADUKSNS-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2S
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0699267
Overview
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide is a sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group. It is a member of naphthalenes, a sulfonamide, an organochlorine compound and a primary amino compound. It is a conjugate base of a N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide(1+).
Names & identifiers
- Preferred name
- N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide
- IUPAC
- N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide
- English name
- N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
- Molecular formula
- C14H17ClN2O2S
- Molecular weight
- 312.82
Names & synonyms
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamideN-(4-Aminobutyl)-5-Chloro-2-Naphthalenesulfonamide2-Naphthalenesulfonamide, N-(4-aminobutyl)-5-chloro-DTXSID401002136CHEBI:75366RefChem:926841DTXCID2095065481705-04-6w-13Tocris-0361SCHEMBL905271CHEMBL1256392
Show more names
Ethyl 4-phenyl-2-(2-(piperidin-1-yl)acetamido)thiophene-3-carboxylate
HMS3742E03HSCI1_000322NCGC00024554-01BRD-K45068323-003-01-3BRD-K45068323-003-02-1N-(4-aminobutyl)-5-chloro-2-naphthalene sulfonamideQ27145252
Database identifiers
- CAS
81705-04-6- PubChem CID
- 4299
- DTXSID
DTXSID401002136- ChEMBL
CHEMBL1256392- ChEBI
CHEBI:75366- Nikkaji
- J586.788F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 501.5 · 501.5±56.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.50(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Additional notes
DefinitionChEBI: A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…