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

C11H13BrN2O3S — CID 2980556

IUPAC1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2C)ccc1Br
InChIInChI=1S/C11H13BrN2O3S/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
InChIKeyGUKOVYBANAOXBZ-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.88
Rot. Bonds3

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

1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 2980556) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID2980556
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1cc(S(=O)(=O)N2CCN=C2C)ccc1Br
InChIInChI=1S/C11H13BrN2O3S/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
InChIKeyGUKOVYBANAOXBZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
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CID 802857
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
CID 850071
4-bromo-3-methoxy-N,N-dipropylbenzenesulfonamide
CID 16807445
1-Fluoro-2-methoxy-4-[(2-methyl(2-imidazolinyl))sulfonyl]benzene
CID 43845471
1-(4-Bromo-3-methoxyphenyl)sulfonylpyrrolidine
CID 935622
1-(4-Bromo-3-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 935694
1-[(4-Bromo-3-methoxyphenyl)sulfonyl]-4-ethylpiperazine
CID 2238808
1-[(5-bromo-2-ethoxyphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole
CID 6458119
1-(4-Bromo-3-ethoxyphenyl)sulfonyl-4-ethylpiperazine
CID 1652547
1-(4-Bromo-3-methoxyphenyl)sulfonylazetidine
CID 170557116

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 2980556) is 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is COc1cc(S(=O)(=O)N2CCN=C2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is GUKOVYBANAOXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/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-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 333.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 2980556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).