4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide

C11H8BrCl2N3O2S — CID 107793247

IUPAC4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H8BrCl2N3O2S/c12-6-1-2-8(11(14)10(6)13)17-20(18,19)9-5-16-4-3-7(9)15/h1-5,17H,(H2,15,16)
InChIKeyMAXYXJXPBNXSMR-UHFFFAOYSA-N
MW397.08 g/mol
LogP3.53
Rot. Bonds3

About 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide

4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide (PubChem CID 107793247) has the molecular formula C11H8BrCl2N3O2S and a molecular weight of 397.08 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
PubChem CID107793247
Molecular FormulaC11H8BrCl2N3O2S
Molecular Weight397.08 g/mol
Exact Mass394.89
IUPAC Name4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H8BrCl2N3O2S/c12-6-1-2-8(11(14)10(6)13)17-20(18,19)9-5-16-4-3-7(9)15/h1-5,17H,(H2,15,16)
InChIKeyMAXYXJXPBNXSMR-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-sulfonamide
CID 107616471
3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83165731
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide (CID 107793247) is 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide is Nc1ccncc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide?
The InChIKey is MAXYXJXPBNXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O2S/c12-6-1-2-8(11(14)10(6)13)17-20(18,19)9-5-16-4-3-7(9)15/h1-5,17H,(H2,15,16).
What are the key properties of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide?
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide 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 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107793247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).