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

C11H8BrClFN3O2S — CID 83165731

IUPAC5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cnccc2Cl)c(Br)cc1F
InChIInChI=1S/C11H8BrClFN3O2S/c12-6-3-8(14)9(15)4-11(6)20(18,19)17-10-5-16-2-1-7(10)13/h1-5,17H,15H2
InChIKeyMVDZYRZYHBZWMD-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.02
Rot. Bonds3

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

5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 83165731) has the molecular formula C11H8BrClFN3O2S and a molecular weight of 380.63 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID83165731
Molecular FormulaC11H8BrClFN3O2S
Molecular Weight380.63 g/mol
Exact Mass378.92
IUPAC Name5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cnccc2Cl)c(Br)cc1F
InChIInChI=1S/C11H8BrClFN3O2S/c12-6-3-8(14)9(15)4-11(6)20(18,19)17-10-5-16-2-1-7(10)13/h1-5,17H,15H2
InChIKeyMVDZYRZYHBZWMD-UHFFFAOYSA-N
XLogP3.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.02
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

5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
5-amino-2-bromo-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587514
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
CID 66252214
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
2-amino-N-(4-chloro-3-pyridinyl)pyridine-3-sulfonamide
CID 83164863
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 83165731) is 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cnccc2Cl)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is MVDZYRZYHBZWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O2S/c12-6-3-8(14)9(15)4-11(6)20(18,19)17-10-5-16-2-1-7(10)13/h1-5,17H,15H2.
What are the key properties of 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 380.63 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 83165731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).