5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide

C13H11Br2ClN2O2S — CID 107573390

IUPAC5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc(C)c1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-3-10(4-8(2)12(7)15)18-21(19,20)11-5-9(14)6-17-13(11)16/h3-6,18H,1-2H3
InChIKeyVOOSSGWAXZJGQM-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide

5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide (PubChem CID 107573390) has the molecular formula C13H11Br2ClN2O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
PubChem CID107573390
Molecular FormulaC13H11Br2ClN2O2S
Molecular Weight454.57 g/mol
Exact Mass451.86
IUPAC Name5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc(C)c1Br
InChIInChI=1S/C13H11Br2ClN2O2S/c1-7-3-10(4-8(2)12(7)15)18-21(19,20)11-5-9(14)6-17-13(11)16/h3-6,18H,1-2H3
InChIKeyVOOSSGWAXZJGQM-UHFFFAOYSA-N
XLogP4.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide
CID 104777158
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide (CID 107573390) is 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc(C)c1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide?
The InChIKey is VOOSSGWAXZJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O2S/c1-7-3-10(4-8(2)12(7)15)18-21(19,20)11-5-9(14)6-17-13(11)16/h3-6,18H,1-2H3.
What are the key properties of 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide?
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 107573390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).