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

C11H8BrCl2N3O2S — CID 83166228

IUPAC3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cnccc2Cl)c1Br
InChIInChI=1S/C11H8BrCl2N3O2S/c12-11-8(15)3-6(13)4-10(11)20(18,19)17-9-5-16-2-1-7(9)14/h1-5,17H,15H2
InChIKeyYVAUWYYEAKXAII-UHFFFAOYSA-N
MW397.08 g/mol
LogP3.53
Rot. Bonds3

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

3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide (PubChem CID 83166228) has the molecular formula C11H8BrCl2N3O2S and a molecular weight of 397.08 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
PubChem CID83166228
Molecular FormulaC11H8BrCl2N3O2S
Molecular Weight397.08 g/mol
Exact Mass394.89
IUPAC Name3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cnccc2Cl)c1Br
InChIInChI=1S/C11H8BrCl2N3O2S/c12-11-8(15)3-6(13)4-10(11)20(18,19)17-9-5-16-2-1-7(9)14/h1-5,17H,15H2
InChIKeyYVAUWYYEAKXAII-UHFFFAOYSA-N
XLogP3.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 53.53
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-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83165731
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
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-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
2-amino-N-(4-chloro-3-pyridinyl)pyridine-3-sulfonamide
CID 83164863
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide (CID 83166228) is 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2cnccc2Cl)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The InChIKey is YVAUWYYEAKXAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O2S/c12-11-8(15)3-6(13)4-10(11)20(18,19)17-9-5-16-2-1-7(9)14/h1-5,17H,15H2.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide has a molecular weight of 397.08 g/mol, XLogP of 3.53, 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-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 83166228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).