1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

C10H11IN2O2S — CID 1327583

IUPAC1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyUGOCBOUOWGHQJY-UHFFFAOYSA-N
MW350.18 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 1327583) has the molecular formula C10H11IN2O2S and a molecular weight of 350.18 g/mol. Its IUPAC name is 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID1327583
Molecular FormulaC10H11IN2O2S
Molecular Weight350.18 g/mol
Exact Mass349.96
IUPAC Name1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C10H11IN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyUGOCBOUOWGHQJY-UHFFFAOYSA-N
XLogP1.71
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(methylthio)-1-(phenylsulfonyl)-4,5-dihydro-1H-imidazole
CID 2148541
2-methyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-imidazole
CID 759576
N-benzenesulfonyl-N',N'-dimethylacetamidine
CID 13115460
1-(benzenesulfonyl)-2-methyl-5,6-dihydro-4H-pyrimidine
CID 3695035
1-(Benzenesulfonyl)-2,3-dimethyl-4,5-dihydroimidazol-3-ium iodide
CID 11810663
N-methyl-2-benzenesulfonyliminopyrrolidine
CID 74040702
Phenylsulfonyl imidazolinium iodide
CID 129822847
1-(4-Fluorophenyl)sulfonyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
CID 1489256
1-[(4-fluorophenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole
CID 1489264
1-[(4-chlorophenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole
CID 809750
1-(4-Bromophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
CID 4472495
N-(benzenesulfonyl)-N,N'-dimethylethanimidamide
CID 86108427

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 1327583) is 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is CC1=NCCN1S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is UGOCBOUOWGHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2S/c1-8-12-6-7-13(8)16(14,15)10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 350.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 1327583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).