3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide

C11H8Br2ClN3O2S — CID 62955473

IUPAC3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Br)cn2)c1Br
InChIInChI=1S/C11H8Br2ClN3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(14)3-8(15)11(9)13/h1-5H,15H2,(H,16,17)
InChIKeyYNNKZWJVVACFJT-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.64
Rot. Bonds3

About 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide

3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide (PubChem CID 62955473) has the molecular formula C11H8Br2ClN3O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
PubChem CID62955473
Molecular FormulaC11H8Br2ClN3O2S
Molecular Weight441.53 g/mol
Exact Mass438.84
IUPAC Name3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Br)cn2)c1Br
InChIInChI=1S/C11H8Br2ClN3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(14)3-8(15)11(9)13/h1-5H,15H2,(H,16,17)
InChIKeyYNNKZWJVVACFJT-UHFFFAOYSA-N
XLogP3.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.64
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

2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
3-(aminomethyl)-N-(5-bromo-2-pyridinyl)-5-chloro-2-methylbenzenesulfonamide
CID 106020875
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 62956708
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide (CID 62955473) is 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Br)cn2)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide?
The InChIKey is YNNKZWJVVACFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3O2S/c12-6-1-2-10(16-5-6)17-20(18,19)9-4-7(14)3-8(15)11(9)13/h1-5H,15H2,(H,16,17).
What are the key properties of 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide?
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide is sourced from PubChem (CID 62955473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).