4-methyl-N-(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzenesulfonamide
Basic information
- CAS
49633-28-5- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
URBKDTWJYJXMOZ-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4S2
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.08644947
Overview
See also: N,N'-(1,2-Phenylene)bis(P-toluenesulfonamide) (annotation moved to).
Names & identifiers
- Preferred name
- 4-methyl-N-(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzenesulfonamide
- IUPAC
- 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
- English name
- 1,2-bis-(toluene-4-sulfonylamino)-benzene
- Molecular formula
- C20H20N2O4S2
- Molecular weight
- 416.51
Names & synonyms
49633-28-5N,N'-(1,2-Phenylene)bis(4-methylbenzenesulfonamide)1,2-bis-(toluene-4-sulfonylamino)-benzene4-methyl-N-(2-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzenesulfonamideMLS003389252MFCD001593004-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamideNSC6672454-methyl-N-[2-(p-tolylsulfonylamino)phenyl]benzenesulfonamideBenzenesulfonamide, N,N'-1,2-phenylenebis[4-methyl-N,N'-benzene-1,2-diylbis(4-methylbenzenesulfonamide)SMR002048909
Show more names
1,2-bis-(p-methylphenylsulfonamido)-benzeneN,N'-(1,2-PHENYLENE)BIS(P-TOLUENESULFONAMIDE)N,N'-(1,2-PHENYLENE)BIS(P-TOLUENESULFONAMIDE)Benzenesulfonamide,N,N'-1,2-phenylenebis[4-methyl-
N,N'-(O-Phenylene)bis(p-toluenesulfonamide)NSC83604starbld0009750ditosyl-o-phenylenediamineMLS003675157N,N'-1,2-phenylenebis(4-methylbenzenesulfonamide)SCHEMBL2068526CHEMBL1889250
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 585.8 · 585.8±60.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 8.22 · 8.22±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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