1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole

C10H8Cl2N2O2S — CID 610596

IUPAC1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-13-4-5-14(7)17(15,16)10-3-2-8(11)6-9(10)12/h2-6H,1H3
InChIKeyRXEBECWGRSIBNB-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole

1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole (PubChem CID 610596) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole
PubChem CID610596
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole
SMILESCc1nccn1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-13-4-5-14(7)17(15,16)10-3-2-8(11)6-9(10)12/h2-6H,1H3
InChIKeyRXEBECWGRSIBNB-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzenesulfonyl)-4-(1H-imidazole-1-carbonyl)piperazine
CID 4784722
1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole
CID 700899
1-(2,5-Dichlorophenyl)sulfonylimidazole
CID 403027
2,4-Dichloro-N-(3-imidazol-1-yl-propyl)-3-methyl-benzenesulfonamide
CID 5312199
1-(2,5-Dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 775488
1-(4-Chlorophenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 42644676
1-(2,4-dichloro-5-methylbenzenesulfonyl)-1H-imidazole
CID 686065
1-(2,4-Dichlorophenyl)sulfonylimidazole
CID 4914608
1-[(2,5-dichlorophenyl)sulfonyl]-2-isopropyl-1H-imidazole
CID 794380
2,3,4-Trichloro-1-[(2-ethyl-4-methylimidazolyl)sulfonyl]benzene
CID 2897522
1-(4-Chlorophenyl)sulfonyl-2-methylimidazole
CID 402990
1-(4-Fluoro-benzenesulfonyl)-2-methyl-1H-imidazole
CID 810103

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole (CID 610596) is 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole is Cc1nccn1S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole?
The InChIKey is RXEBECWGRSIBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7-13-4-5-14(7)17(15,16)10-3-2-8(11)6-9(10)12/h2-6H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole?
1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole has a molecular weight of 291.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonyl-2-methylimidazole is sourced from PubChem (CID 610596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).