Basic information
- CAS
2990-12-7- Standard SMILES
NS(=O)(=O)c1ccc(N=O)cc1- InChIKey
NMCOEEKSSIVNAX-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3S
- Average molar mass
- 186.19 g/mol
- Monoisotopic mass
- 186.00991323
Overview
4-nitrosobenzenesulfonamide is a sulfonamide that is benzenesulfonamide bearing a nitroso substituent at position 4. It has a role as an allergen and a hapten. It is a sulfonamide and a nitroso compound.
Names & identifiers
- Preferred name
- 4-Nitrosobenzenesulfonamide
- IUPAC
- 4-nitrosobenzenesulfonamide
- English name
- Benzenesulfonamide, 4-nitroso- (9CI)
- Molecular formula
- C6H6N2O3S
- Molecular weight
- 186.19
Names & synonyms
4-nitrosobenzenesulfonamide2990-12-7CHEBI:64490DTXSID90324666RefChem:100156DTXCID702757834-nitrosobenzene-1-sulfonamideNSC407486p-NitrosobenzolsulfonamidEpitope ID:167074SCHEMBL20904148NSC-407486
Show more names
Benzenesulfonamide, 4-nitroso-Benzenesulfonamide, 4-nitroso- (9CI)
Q27133314
Database identifiers
- CAS
2990-12-7- PubChem CID
- 348252
- DTXSID
DTXSID90324666- ChEBI
CHEBI:64490- Nikkaji
- J2.449.424A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Additional notes
DefinitionChEBI: 4-nitrosobenzenesulfonamide is a sulfonamide that is benzenesulfonamide bearing a nitroso substituent at position 4. It has a role as a hapten and an allergen. It is a nitroso compound and a sulfonamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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