1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

C11H13FN2O3S — CID 43845471

IUPAC1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2C)ccc1F
InChIInChI=1S/C11H13FN2O3S/c1-8-13-5-6-14(8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPXRIHKPPHRKXDN-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.26
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole

1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 43845471) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID43845471
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2C)ccc1F
InChIInChI=1S/C11H13FN2O3S/c1-8-13-5-6-14(8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPXRIHKPPHRKXDN-UHFFFAOYSA-N
XLogP1.26
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 43845471) is 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is COc1cc(S(=O)(=O)N2CCN=C2C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is PXRIHKPPHRKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-8-13-5-6-14(8)18(15,16)9-3-4-10(12)11(7-9)17-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 272.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 43845471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).