N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide

C11H9BrClN3O2S — CID 79734611

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccnc(Cl)c2)ncc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-11(15-6-9(7)12)16-19(17,18)8-2-3-14-10(13)5-8/h2-6H,1H3,(H,15,16)
InChIKeyWGDSRIYVJPYVGI-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide (PubChem CID 79734611) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
PubChem CID79734611
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccnc(Cl)c2)ncc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-11(15-6-9(7)12)16-19(17,18)8-2-3-14-10(13)5-8/h2-6H,1H3,(H,15,16)
InChIKeyWGDSRIYVJPYVGI-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 79736144
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide (CID 79734611) is N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide is Cc1cc(NS(=O)(=O)c2ccnc(Cl)c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide?
The InChIKey is WGDSRIYVJPYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-4-11(15-6-9(7)12)16-19(17,18)8-2-3-14-10(13)5-8/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide has a molecular weight of 362.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide is sourced from PubChem (CID 79734611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).