1,3-diethyl-2-oxobenzimidazole-5-sulfonamide

C11H15N3O3S — CID 715107

IUPAC1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H15N3O3S/c1-3-13-9-6-5-8(18(12,16)17)7-10(9)14(4-2)11(13)15/h5-7H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyITRNHCBDICBBGK-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.49
Rot. Bonds3

About 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide

1,3-diethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 715107) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID715107
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H15N3O3S/c1-3-13-9-6-5-8(18(12,16)17)7-10(9)14(4-2)11(13)15/h5-7H,3-4H2,1-2H3,(H2,12,16,17)
InChIKeyITRNHCBDICBBGK-UHFFFAOYSA-N
XLogP0.49
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide (CID 715107) is 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is ITRNHCBDICBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-3-13-9-6-5-8(18(12,16)17)7-10(9)14(4-2)11(13)15/h5-7H,3-4H2,1-2H3,(H2,12,16,17).
What are the key properties of 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide?
1,3-diethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 715107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).