N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide

C12H10BrCl2N3O2S — CID 107793245

IUPACN-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-10-5-2-7(6-17-10)21(19,20)18-9-4-3-8(13)11(14)12(9)15/h2-6,18H,1H3,(H,16,17)
InChIKeyZZRQCUGTDDBINQ-UHFFFAOYSA-N
MW411.11 g/mol
LogP3.99
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide

N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 107793245) has the molecular formula C12H10BrCl2N3O2S and a molecular weight of 411.11 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID107793245
Molecular FormulaC12H10BrCl2N3O2S
Molecular Weight411.11 g/mol
Exact Mass408.91
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-10-5-2-7(6-17-10)21(19,20)18-9-4-3-8(13)11(14)12(9)15/h2-6,18H,1H3,(H,16,17)
InChIKeyZZRQCUGTDDBINQ-UHFFFAOYSA-N
XLogP3.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.11
LogP ≤ 53.99
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

N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-(4-bromo-2-chlorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 43347456
N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 79048643
N-(2,3-dichlorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62149087
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 107793245) is N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ZZRQCUGTDDBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2S/c1-16-10-5-2-7(6-17-10)21(19,20)18-9-4-3-8(13)11(14)12(9)15/h2-6,18H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 411.11 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107793245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).