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

C11H13BrN2O3S — CID 802857

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C
InChIInChI=1S/C11H13BrN2O3S/c1-8-13-5-6-14(8)18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPMGCNQSMXUZZLB-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.88
Rot. Bonds3

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

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 802857) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID802857
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C
InChIInChI=1S/C11H13BrN2O3S/c1-8-13-5-6-14(8)18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPMGCNQSMXUZZLB-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

5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
CID 700232
5-bromo-2-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 2345899
1-((5-Bromo-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 775753
5-bromo-N,N-diethyl-2-(trifluoromethoxy)benzenesulfonamide
CID 91759197
5-bromo-N-(2,2-difluoroethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 115611947
1-(5-Bromo-2-ethoxyphenyl)sulfonyl-4-methylpiperazine
CID 1076573
1-[(5-Bromo-2-ethoxyphenyl)sulfonyl]-4-ethylpiperazine
CID 1258229
1-(4-Bromo-3-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
CID 2980556
5-bromo-N-butyl-2-methoxy-N-methylbenzenesulfonamide
CID 4992201
1-[(5-bromo-2-ethoxyphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole
CID 6458119
5-Bromo-n-(2-(dimethylamino)ethyl)-2-methoxybenzenesulfonamide
CID 8716805

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 802857) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is PMGCNQSMXUZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-8-13-5-6-14(8)18(15,16)11-7-9(12)3-4-10(11)17-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(5-bromo-2-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-(5-bromo-2-methoxyphenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 802857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).