1-(4-chlorophenyl)-2-methylsulfonylimidazole

C10H9ClN2O2S — CID 82132275

IUPAC1-(4-chlorophenyl)-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-16(14,15)10-12-6-7-13(10)9-4-2-8(11)3-5-9/h2-7H,1H3
InChIKeyUGBRJMAVDZDJKP-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-chlorophenyl)-2-methylsulfonylimidazole

1-(4-chlorophenyl)-2-methylsulfonylimidazole (PubChem CID 82132275) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylsulfonylimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylsulfonylimidazole
PubChem CID82132275
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-(4-chlorophenyl)-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2S/c1-16(14,15)10-12-6-7-13(10)9-4-2-8(11)3-5-9/h2-7H,1H3
InChIKeyUGBRJMAVDZDJKP-UHFFFAOYSA-N
XLogP1.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)imidazol-2-amine
CID 106558475
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
CID 10521634
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol
CID 97243157
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
(3R)-1-[(1R,2S)-4,6-dichloro-1-[2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67309827
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole
CID 167990569
N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
CID 17405064
1-(4-chlorophenyl)-5-formylimidazole-4-sulfonic acid
CID 133064315
1-(2,4-dichlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 92674136

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylimidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylimidazole (CID 82132275) is 1-(4-chlorophenyl)-2-methylsulfonylimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylsulfonylimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylsulfonylimidazole is CS(=O)(=O)c1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylsulfonylimidazole?
The InChIKey is UGBRJMAVDZDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-16(14,15)10-12-6-7-13(10)9-4-2-8(11)3-5-9/h2-7H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-methylsulfonylimidazole?
1-(4-chlorophenyl)-2-methylsulfonylimidazole has a molecular weight of 256.71 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylsulfonylimidazole is sourced from PubChem (CID 82132275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).