Benzenesulfonamide, 4-amino-N-(3-methyl-2-pyridinyl)-
Basic information
- CAS
72460-27-6- Standard SMILES
Cc1cccnc1NS(=O)(=O)c1ccc(N)cc1- InChIKey
IQKINOXKIITJCG-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-amino-N-(3-methyl-2-pyridinyl)-
- IUPAC
- 4-amino-N-(3-methyl-2-pyridinyl)benzenesulfonamide
- English name
- 4-amino-N-(3-methylpyridin-2-yl)benzenesulfonamide
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
72460-27-6CH 99ABenzenesulfonamide, 4-amino-N-(3-methyl-2-pyridinyl)-BRN 02415114-Amino-N-(3-methyl-2-pyridinyl)benzenesulfonamideDTXSID302227584-22-00-04159 (Beilstein Handbook Reference)RefChem:325321DTXCID601452494-amino-N-(3-methylpyridin-2-yl)benzenesulfonamide4-amino-N-(3-methylpyridin-2-yl)benzene-1-sulfonamideZ33HNQ5X9A
Show more names
4-amino-N-(3-methylpyridin-2-yl)benzenesulfonamide(WXC07123)
CHEMBL157615MFCD01657691AKOS000205577AS-69413CS-0322562W137184-amino-N-(3-methyl-2-pyridyl)benzenesulfonamideF538432
Database identifiers
- CAS
72460-27-6- PubChem CID
- 3055445
- DTXSID
DTXSID30222758- ChEMBL
CHEMBL157615- UNII
- Z33HNQ5X9A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
LogP0.26
Physicochemical properties
- Boiling point
- 475.9 · 475.9±55.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…