6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C12H11BrN4O4S — CID 166341427

IUPAC6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1nocc1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H11BrN4O4S/c1-2-7-10(5-21-16-7)17-22(19,20)11-4-9-8(3-6(11)13)14-12(18)15-9/h3-5,17H,2H2,1H3,(H2,14,15,18)
InChIKeyIMWIRQKNGIMKIL-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.97
Rot. Bonds4

About 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 166341427) has the molecular formula C12H11BrN4O4S and a molecular weight of 387.22 g/mol. Its IUPAC name is 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID166341427
Molecular FormulaC12H11BrN4O4S
Molecular Weight387.22 g/mol
Exact Mass385.97
IUPAC Name6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1nocc1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H11BrN4O4S/c1-2-7-10(5-21-16-7)17-22(19,20)11-4-9-8(3-6(11)13)14-12(18)15-9/h3-5,17H,2H2,1H3,(H2,14,15,18)
InChIKeyIMWIRQKNGIMKIL-UHFFFAOYSA-N
XLogP1.97
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-2,3-dioxo-N-(4-propylphenyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464116
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-3-ethyl-1,2-oxazole-4-carboxamide
CID 166341396
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 51703439
5-bromo-6-(heptylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741354
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
5-bromo-6-(3,3-dimethylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 62952299
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
5-bromo-6-[(3,4-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43790101
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349
2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide
CID 136518922

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 166341427) is 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCc1nocc1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is IMWIRQKNGIMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O4S/c1-2-7-10(5-21-16-7)17-22(19,20)11-4-9-8(3-6(11)13)14-12(18)15-9/h3-5,17H,2H2,1H3,(H2,14,15,18).
What are the key properties of 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 387.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethyl-1,2-oxazol-4-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 166341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).