4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine

C13H11Cl2NO2S — CID 555200

IUPAC4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(S(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-8-11(14)13(12(15)9(2)16-8)19(17,18)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyTVPAUTJCHZBQQI-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.84
Rot. Bonds2

About 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine

4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine (PubChem CID 555200) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
PubChem CID555200
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(S(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C13H11Cl2NO2S/c1-8-11(14)13(12(15)9(2)16-8)19(17,18)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyTVPAUTJCHZBQQI-UHFFFAOYSA-N
XLogP3.84
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-5-chloro-4-methylpyrimidine
CID 54138788
3-(benzenesulfonyl)-2-[(R)-(4-chlorophenyl)sulfinyl]-4,6-dimethylpyridine
CID 34365759
2-(benzenesulfonyl)-3-methylquinoxaline
CID 1202768
(2,3,3-trimethylcyclopropen-1-yl)sulfonylbenzene
CID 15082335
2-(benzenesulfonyl)-3-chloronaphthalene-1,4-diol
CID 141482918
3,5-bis(benzenesulfonyl)-2,6-dimethyl-1H-pyridin-4-one
CID 555917
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonyl chloride
CID 87647314
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
5-(benzenesulfonyl)-4-(2-chlorophenyl)-2-methylpyrimidine
CID 1488342

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine?
The IUPAC name of 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine (CID 555200) is 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine.
What is the SMILES notation for 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine?
The canonical SMILES for 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine is Cc1nc(C)c(Cl)c(S(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine?
The InChIKey is TVPAUTJCHZBQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c1-8-11(14)13(12(15)9(2)16-8)19(17,18)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine?
4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine has a molecular weight of 316.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3,5-dichloro-2,6-dimethylpyridine is sourced from PubChem (CID 555200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).