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

C12H10BrCl2N3O2S — CID 65498877

IUPAC5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(5-7(13)6-17-12)21(19,20)18-11-8(14)3-2-4-9(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyFHYCUZHITOXBSM-UHFFFAOYSA-N
MW411.11 g/mol
LogP3.99
Rot. Bonds4

About 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 65498877) has the molecular formula C12H10BrCl2N3O2S and a molecular weight of 411.11 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID65498877
Molecular FormulaC12H10BrCl2N3O2S
Molecular Weight411.11 g/mol
Exact Mass408.91
IUPAC Name5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(5-7(13)6-17-12)21(19,20)18-11-8(14)3-2-4-9(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyFHYCUZHITOXBSM-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

5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 62164045
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143306
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 65480779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 65498877) is 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FHYCUZHITOXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O2S/c1-16-12-10(5-7(13)6-17-12)21(19,20)18-11-8(14)3-2-4-9(11)15/h2-6,18H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(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 5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 65498877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).