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

C12H11BrFN3O2S — CID 62146982

IUPACN-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C12H11BrFN3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16)
InChIKeyBMQPPMNHHQUYQZ-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.83
Rot. Bonds4

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

N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 62146982) has the molecular formula C12H11BrFN3O2S and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID62146982
Molecular FormulaC12H11BrFN3O2S
Molecular Weight360.21 g/mol
Exact Mass358.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C12H11BrFN3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16)
InChIKeyBMQPPMNHHQUYQZ-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

N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
N-(4-bromo-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28530143
5-[(5-bromo-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614162
N-(5-bromo-2-fluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61328919
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
N-(3-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62142755
N-(3,5-dichloro-4-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107578094
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 103586397
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide (CID 62146982) is N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is BMQPPMNHHQUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2S/c1-15-12-5-3-9(7-16-12)20(18,19)17-11-6-8(13)2-4-10(11)14/h2-7,17H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide?
N-(5-bromo-2-fluorophenyl)-6-(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 N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62146982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).