N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide

C12H11BrClN3O2S — CID 81274698

IUPACN-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H11BrClN3O2S/c1-15-12-11(3-2-6-16-12)20(18,19)17-10-7-8(14)4-5-9(10)13/h2-7,17H,1H3,(H,15,16)
InChIKeyJWBYAHGNDRZACZ-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.34
Rot. Bonds4

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

N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 81274698) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID81274698
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C12H11BrClN3O2S/c1-15-12-11(3-2-6-16-12)20(18,19)17-10-7-8(14)4-5-9(10)13/h2-7,17H,1H3,(H,15,16)
InChIKeyJWBYAHGNDRZACZ-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 81279969
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 81280535
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
N-(2-chloro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 107630568
N-(5-chloro-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143012
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
2-amino-N-(2-bromo-4-chlorophenyl)pyridine-3-sulfonamide
CID 81262495

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 81274698) is N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is JWBYAHGNDRZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-15-12-11(3-2-6-16-12)20(18,19)17-10-7-8(14)4-5-9(10)13/h2-7,17H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 81274698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).