3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide

C11H8BrClFN3O2S — CID 103077169

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)Nc2ccncc2)cc(Cl)c1Br
InChIInChI=1S/C11H8BrClFN3O2S/c12-9-7(13)5-8(10(14)11(9)15)20(18,19)17-6-1-3-16-4-2-6/h1-5H,15H2,(H,16,17)
InChIKeyWFZAHVLFQCPFBL-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide

3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 103077169) has the molecular formula C11H8BrClFN3O2S and a molecular weight of 380.63 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID103077169
Molecular FormulaC11H8BrClFN3O2S
Molecular Weight380.63 g/mol
Exact Mass378.92
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide
SMILESNc1c(F)c(S(=O)(=O)Nc2ccncc2)cc(Cl)c1Br
InChIInChI=1S/C11H8BrClFN3O2S/c12-9-7(13)5-8(10(14)11(9)15)20(18,19)17-6-1-3-16-4-2-6/h1-5H,15H2,(H,16,17)
InChIKeyWFZAHVLFQCPFBL-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 103077216
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 103077729
3-amino-4-bromo-5-chloro-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 103077173
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181239
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 103077507
3-amino-4-bromo-N-but-3-en-2-yl-5-chloro-2-fluorobenzenesulfonamide
CID 103077680
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164884
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 103077682

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide (CID 103077169) is 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide is Nc1c(F)c(S(=O)(=O)Nc2ccncc2)cc(Cl)c1Br.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is WFZAHVLFQCPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3O2S/c12-9-7(13)5-8(10(14)11(9)15)20(18,19)17-6-1-3-16-4-2-6/h1-5H,15H2,(H,16,17).
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide 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 3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 103077169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).