5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

C13H12BrClN2O2S — CID 107266690

IUPAC5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C13H12BrClN2O2S/c1-8-3-4-10(14)7-12(8)20(18,19)17-11-5-6-13(15)16-9(11)2/h3-7,17H,1-2H3
InChIKeyUOMVZKHKDVUKDD-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.92
Rot. Bonds3

About 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide

5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 107266690) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID107266690
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C13H12BrClN2O2S/c1-8-3-4-10(14)7-12(8)20(18,19)17-11-5-6-13(15)16-9(11)2/h3-7,17H,1-2H3
InChIKeyUOMVZKHKDVUKDD-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.92
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

N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
CID 107266790
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide (CID 107266690) is 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is UOMVZKHKDVUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-3-4-10(14)7-12(8)20(18,19)17-11-5-6-13(15)16-9(11)2/h3-7,17H,1-2H3.
What are the key properties of 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide?
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 107266690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).