3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole

C19H17N3O2S — CID 110535784

IUPAC3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
SMILESCc1c(-c2nccn2S(=O)(=O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H17N3O2S/c1-14-18(16-10-6-7-11-17(16)21(14)2)19-20-12-13-22(19)25(23,24)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyZSIHFPPAEWGMAK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.59
Rot. Bonds3

About 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole

3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole (PubChem CID 110535784) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
PubChem CID110535784
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
SMILESCc1c(-c2nccn2S(=O)(=O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C19H17N3O2S/c1-14-18(16-10-6-7-11-17(16)21(14)2)19-20-12-13-22(19)25(23,24)15-8-4-3-5-9-15/h3-13H,1-2H3
InChIKeyZSIHFPPAEWGMAK-UHFFFAOYSA-N
XLogP3.59
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-(1-methylsulfonylimidazol-2-yl)indole
CID 110539127
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione
CID 22461862
[1-(benzenesulfonyl)indol-3-yl]-trimethylsilane
CID 12908469
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole?
The IUPAC name of 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole (CID 110535784) is 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole.
What is the SMILES notation for 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole?
The canonical SMILES for 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole is Cc1c(-c2nccn2S(=O)(=O)c2ccccc2)c2ccccc2n1C.
What is the InChIKey of 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole?
The InChIKey is ZSIHFPPAEWGMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-14-18(16-10-6-7-11-17(16)21(14)2)19-20-12-13-22(19)25(23,24)15-8-4-3-5-9-15/h3-13H,1-2H3.
What are the key properties of 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole?
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole has a molecular weight of 351.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole is sourced from PubChem (CID 110535784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).