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

C12H10BrCl2N3O2S — CID 62142676

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(3-2-4-17-12)21(19,20)18-11-8(14)5-7(13)6-9(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyUCGPXACUZCSJHK-UHFFFAOYSA-N
MW411.11 g/mol
LogP3.99
Rot. Bonds4

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

N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62142676) has the molecular formula C12H10BrCl2N3O2S and a molecular weight of 411.11 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62142676
Molecular FormulaC12H10BrCl2N3O2S
Molecular Weight411.11 g/mol
Exact Mass408.91
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(3-2-4-17-12)21(19,20)18-11-8(14)5-7(13)6-9(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyUCGPXACUZCSJHK-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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 107630568
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455137
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 62147866
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62142676) is N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is UCGPXACUZCSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(3-2-4-17-12)21(19,20)18-11-8(14)5-7(13)6-9(11)15/h2-6,18H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(4-bromo-2,6-dichlorophenyl)-2-(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-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62142676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).