4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide

C12H11Br2N3O2S — CID 83167153

IUPAC4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H11Br2N3O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)9-2-3-11(15)10(14)5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyJJKYBZOOTQISLC-UHFFFAOYSA-N
MW421.11 g/mol
LogP3.30
Rot. Bonds3

About 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide

4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 83167153) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID83167153
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC Name4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H11Br2N3O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)9-2-3-11(15)10(14)5-9/h2-6H,15H2,1H3,(H,16,17)
InChIKeyJJKYBZOOTQISLC-UHFFFAOYSA-N
XLogP3.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 53.30
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-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide (CID 83167153) is 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is JJKYBZOOTQISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)9-2-3-11(15)10(14)5-9/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide?
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 83167153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).