4-Methyl-n-(1-nitronaphthalen-2-yl)benzenesulfonamide
Basic information
- CAS
5434-02-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1- InChIKey
RXMAWDAFFXYYHI-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.06742811
Names & identifiers
- Preferred name
- 4-Methyl-n-(1-nitronaphthalen-2-yl)benzenesulfonamide
- IUPAC
- 4-methyl-N-(1-nitronaphthalen-2-yl)benzenesulfonamide
- English name
- 4-Methyl-n-(1-nitronaphthalen-2-yl)benzenesulfonamide
- Molecular formula
- C17H14N2O4S
- Molecular weight
- 342.37
Names & synonyms
MLS0026381435434-02-6SMR0015476334-methyl-n-(1-nitronaphthalen-2-yl)benzenesulfonamideNSC10415cid_223149CHEMBL1708852BDBM913834-methyl-N-(1-nitronaphthalen-2-yl)benzene-1-sulfonamideDTXSID10969417HMS3080A15NSC-10415
Show more names
Benzenesulfonamide, 4-methyl-N-(1-nitro-2-naphthalenyl)-
AKOS0243325844-methyl-N-(1-nitro-2-naphthyl)benzenesulfonamideSR-010004197831-NITRO-2-PARA-TOLUENESULFONAMIDONAPHTHALENESR-01000419783-14-methyl-N-(1-nitro-2-naphthalenyl)benzenesulfonamide
Database identifiers
- CAS
5434-02-6- PubChem CID
- 223149
- DTXSID
DTXSID10969417- ChEMBL
CHEMBL1708852
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 534.1 · 534.1±60.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 7.36 · 7.36±0.30(Predicted)
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Compound notes
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