Basic information
- CAS
842-00-2- Standard SMILES
CCS(=O)(=O)c1ccc(S(N)(=O)=O)c2ccccc12- InChIKey
BLQOLXMZXQXGOL-UHFFFAOYSA-N- Molecular formula
- C12H13NO4S2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.02860024
Overview
structure
Names & identifiers
- Preferred name
- 4-(Ethylsulfonyl)-1-naphthalenesulfonamide
- IUPAC
- 4-ethylsulfonylnaphthalene-1-sulfonamide
- English name
- 4-Ethylsulfonylnaphthanele-1-sulfonamide
- Molecular weight
- 0
Names & synonyms
4-Ethylsulfonylnaphthalene-1-sulfonamide842-00-24-(Ethylsulfonyl)-1-naphthalenesulfonamide1-NAPHTHALENESULFONAMIDE, 4-(ETHYLSULFONYL)-RZF8EV6BVYRefChem:989234-Ethylsulphonylnaphthalene-1-sulfonamide4-Ethylsulphonylnaphthalene-1-sulphonamide4-(ethylsulfonyl)naphthalene-1-sulfonamideCCRIS 1566BRN 2153432DTXSID9020613
Show more names
ENSETHYLSULPHONYLNAPHTHALENESULPHONAMIDE4-Ethylsulfonylnaphthanele-1-sulfonamide
4-(ETHANESULFONYL)NAPHTHALENE-1-SULFONAMIDE4-11-00-00615 (Beilstein Handbook Reference)SCHEMBL18889781Ethylsulphonylnaphthalene-1-sulfonamide, 4-Q63088207
Database identifiers
- CAS
842-00-2- PubChem CID
- 13296
- DTXSID
DTXSID9020613- UNII
- RZF8EV6BVY
- Nikkaji
- J34.575J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 515
Experimental & physicochemical properties
LogP1.24
Physicochemical properties
- Density
- 1.4143 · 1.4143 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
- Water Solubility
- 113 mg/L · 113mg/L(cold water)
- FDA UNII
- 8 EV6BVY · RZF8EV6BVY
Chemistry & industry
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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