3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine

C13H10BrCl2NO2S — CID 159127101

IUPAC3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine
SMILESCc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1Br
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-10(14)6-5-9(17-8)7-20(18,19)12-4-2-3-11(15)13(12)16/h2-6H,7H2,1H3
InChIKeyJYXINWSMTMFCEA-UHFFFAOYSA-N
MW395.11 g/mol
LogP4.43
Rot. Bonds3

About 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine

3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine (PubChem CID 159127101) has the molecular formula C13H10BrCl2NO2S and a molecular weight of 395.11 g/mol. Its IUPAC name is 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine
PubChem CID159127101
Molecular FormulaC13H10BrCl2NO2S
Molecular Weight395.11 g/mol
Exact Mass392.90
IUPAC Name3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine
SMILESCc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1Br
InChIInChI=1S/C13H10BrCl2NO2S/c1-8-10(14)6-5-9(17-8)7-20(18,19)12-4-2-3-11(15)13(12)16/h2-6H,7H2,1H3
InChIKeyJYXINWSMTMFCEA-UHFFFAOYSA-N
XLogP4.43
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.11
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
CID 167677065
3-chloro-4-[(6-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 81181655
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
CID 146999410
2-bromo-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyridine
CID 163758748
3-bromo-6-chloro-2-methylpyridine
CID 14866674
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
5-[(3-chloro-2-methylphenyl)sulfonylmethyl]-1,2-dimethylbenzimidazole
CID 58104017
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
1-N-[5-[2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 163434439
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine?
The IUPAC name of 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine (CID 159127101) is 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine.
What is the SMILES notation for 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine?
The canonical SMILES for 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine is Cc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1Br.
What is the InChIKey of 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine?
The InChIKey is JYXINWSMTMFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2S/c1-8-10(14)6-5-9(17-8)7-20(18,19)12-4-2-3-11(15)13(12)16/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine?
3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine has a molecular weight of 395.11 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine is sourced from PubChem (CID 159127101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).