N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide

C12H11BrClN3O2S — CID 107616509

IUPACN-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClN3O2S/c1-15-11-3-2-6-16-12(11)20(18,19)17-8-4-5-9(13)10(14)7-8/h2-7,15,17H,1H3
InChIKeyJEXYFOBPKKEIQF-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.34
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 107616509) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID107616509
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClN3O2S/c1-15-11-3-2-6-16-12(11)20(18,19)17-8-4-5-9(13)10(14)7-8/h2-7,15,17H,1H3
InChIKeyJEXYFOBPKKEIQF-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-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300777
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(2-chloro-4-fluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304303
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306326
N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304876
N-(4-bromo-5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103307734
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide (CID 107616509) is N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is JEXYFOBPKKEIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-15-11-3-2-6-16-12(11)20(18,19)17-8-4-5-9(13)10(14)7-8/h2-7,15,17H,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide?
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-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-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 107616509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).