5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide

C12H11BrFN3O2S — CID 62143306

IUPAC5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11BrFN3O2S/c1-15-12-11(6-8(13)7-16-12)20(18,19)17-10-4-2-9(14)3-5-10/h2-7,17H,1H3,(H,15,16)
InChIKeyNCLHAKSMFJCGCX-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62143306) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62143306
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC Name5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11BrFN3O2S/c1-15-12-11(6-8(13)7-16-12)20(18,19)17-10-4-2-9(14)3-5-10/h2-7,17H,1H3,(H,15,16)
InChIKeyNCLHAKSMFJCGCX-UHFFFAOYSA-N
XLogP2.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
5-bromo-N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 65436185
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-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 65480779
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62143306) is 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is NCLHAKSMFJCGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-15-12-11(6-8(13)7-16-12)20(18,19)17-10-4-2-9(14)3-5-10/h2-7,17H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 360.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62143306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).