4-acetamidonaphthalene-1-sulfonyl Chloride

HCID 4025596

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Basic information

CAS: 5690-20-0
Standard SMILES: CC(=O)Nc1ccc(S(=O)(=O)Cl)c2ccccc12
InChIKey: OMCFQVVRMGXXAF-UHFFFAOYSA-N
Molecular formula: C12H10ClNO3S
Average molar mass: 283.73 g/mol
Monoisotopic mass: 283.00699186

Names & identifiers

Preferred name: 4-acetamidonaphthalene-1-sulfonyl Chloride
IUPAC: 4-acetamidonaphthalene-1-sulfonyl chloride
English name: 4-Acetylamino-naphthalene-1-sulfonyl chloride
Molecular formula: C12H10ClNO3S
Molecular weight: 283.73

Names & synonyms

5690-20-04-acetamidonaphthalene-1-sulfonyl Chloride4-(ACETYLAMINO)NAPHTHALENE-1-SULFONYL CHLORIDE4-(acetylamino)-1-naphthalenesulfonyl chlorideMFCD021697521-Naphthalenesulfonyl chloride, 4-(acetylamino)-4-ACETYLAMINO-NAPHTHALENE-1-SULFONYL CHLORIDESCHEMBL1855816SCHEMBL29469801DTXSID20398618OMCFQVVRMGXXAF-UHFFFAOYSA-NALBB-012427

Show more names

4-acetamido-1-naphthylsulphonyl chloride4-acetamido-1-naphthalenesulfonyl chloride4-(acetylamino)-1-naphthalenesulfonyl chloride(SALTDATA: FREE)

STL388006AKOS0051736384-acetamidonaphthalene-1-sulfonylChlorideAS-426444-acetamido-naphthalene-1-sulfonyl chlorideCS-0147283EN300-119717F312121

Database identifiers

CAS: 5690-20-0
PubChem CID: 4025596
DTXSID: DTXSID20398618
EC Number: 192-226-2

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 418

Physicochemical properties

form: solid
InChI: 1S/C12H10ClNO3S/c1-8(15)14-11-6-7-12(18(13,16)17)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15)
InChIKey: OMCFQVVRMGXXAF-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(c2ccccc12)S(Cl)(=O)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 261 · P261-P280-P310-P305+P351+P338
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids