Basic information
- CAS
120983-26-8- Standard SMILES
NC(N)=NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1- InChIKey
HDAHOTIPDUBLMJ-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4O4S
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.0346038
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(aminoiminomethyl)-4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
- IUPAC
- 2-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylguanidine
Names & synonyms
120983-26-8Benzenesulfonamide, N-(aminoiminomethyl)-4-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-Benzenesulfonamide, N-(aminoiminomethyl)-4-[(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]-NSC45380SCHEMBL2241802DTXSID20923626NSC-453801-[4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]phenyl]sulfonylguanidineN-carbamimidoyl-4-(3-chloro-1,4 di-hydronaphthalen-2-ylamino)benzenesulfonamideN-Carbamimidoyl-4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide
Database identifiers
- CAS
120983-26-8- PubChem CID
- 239792
- DTXSID
DTXSID20923626
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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