Basic information
- CAS
13065-83-3- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1N- InChIKey
SHEKQTHEFWKAIL-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 2-Amino-N-phenyltoluene-4-sulphonamide
- IUPAC
- 3-amino-4-methyl-N-phenylbenzenesulfonamide
- English name
- 2-amino-N-phenyltoluene-4-sulphonamide
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
13065-83-33-amino-4-methyl-N-phenylbenzenesulfonamide2-Amino-N-phenyltoluene-4-sulphonamideNL2B2WK2TY2-AMINO-N-PHENYLTOLUENE-4-SULFONAMIDEbenzenesulfonamide, 3-amino-4-methyl-n-phenyl-EINECS 235-960-1UNII-NL2B2WK2TY3-amino-4-methyl-N-phenylbenzene-1-sulfonamideNCIOpen2_007203CBDivE_008102SCHEMBL11070041
Show more names
o-Toluidine-5-sulfanilide (NH2=1)2-Amino-4-methylbenzenesulfonanilide
DTXSID50156667SHEKQTHEFWKAIL-UHFFFAOYSA-NAKOS0054353283-Amino-4-methyl-N-phenylbenzenesulphonamideNS00024119ST50872123[(3-amino-4-methylphenyl)sulfonyl]phenylamineBenzenesulphonamide, 3-amino-4-methyl-N-phenyl-
Database identifiers
- CAS
13065-83-3- PubChem CID
- 83100
- DTXSID
DTXSID50156667- UNII
- NL2B2WK2TY
- EC Number
- 235-960-1
- Nikkaji
- J317.792K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 459.9 · 459.9±55.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.10(Predicted)
- FDA UNII
- 2 B2WK2TY · NL2B2WK2TY
Chemistry & industry
Suppliers1 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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