3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide

C13H14BrN3O2S — CID 79889062

IUPAC3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-5-11(15)9(2)12(6-8)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyVYXLJQQHJWALRC-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79889062) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79889062
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C13H14BrN3O2S/c1-8-5-11(15)9(2)12(6-8)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyVYXLJQQHJWALRC-UHFFFAOYSA-N
XLogP2.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889587
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
5-amino-N-(5-bromo-2-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65023326
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 79889062) is 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccc(Br)cn2)c1.
What is the InChIKey of 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is VYXLJQQHJWALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-5-11(15)9(2)12(6-8)20(18,19)17-13-4-3-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79889062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).