N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide

C12H10BrClFN3O2S — CID 107603183

IUPACN-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2c(F)cccc2Br)cc1Cl
InChIInChI=1S/C12H10BrClFN3O2S/c1-16-12-9(14)5-7(6-17-12)21(19,20)18-11-8(13)3-2-4-10(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyJFVALHVUAKPHLG-UHFFFAOYSA-N
MW394.65 g/mol
LogP3.48
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide

N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 107603183) has the molecular formula C12H10BrClFN3O2S and a molecular weight of 394.65 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
PubChem CID107603183
Molecular FormulaC12H10BrClFN3O2S
Molecular Weight394.65 g/mol
Exact Mass392.93
IUPAC NameN-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2c(F)cccc2Br)cc1Cl
InChIInChI=1S/C12H10BrClFN3O2S/c1-16-12-9(14)5-7(6-17-12)21(19,20)18-11-8(13)3-2-4-10(11)15/h2-6,18H,1H3,(H,16,17)
InChIKeyJFVALHVUAKPHLG-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 64601121
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-N-(2,5-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64606214
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608516
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 64602862
5-chloro-N-(5-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608935

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide (CID 107603183) is N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)Nc2c(F)cccc2Br)cc1Cl.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is JFVALHVUAKPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O2S/c1-16-12-9(14)5-7(6-17-12)21(19,20)18-11-8(13)3-2-4-10(11)15/h2-6,18H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide?
N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 394.65 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107603183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).