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

C9H11N3O3S — CID 751861

IUPAC1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C9H11N3O3S/c1-11-7-4-3-6(16(10,14)15)5-8(7)12(2)9(11)13/h3-5H,1-2H3,(H2,10,14,15)
InChIKeyLNMRRGFCIHIANW-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.48
Rot. Bonds1

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

1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 751861) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID751861
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C9H11N3O3S/c1-11-7-4-3-6(16(10,14)15)5-8(7)12(2)9(11)13/h3-5H,1-2H3,(H2,10,14,15)
InChIKeyLNMRRGFCIHIANW-UHFFFAOYSA-N
XLogP-0.48
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 751861) is 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is LNMRRGFCIHIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-11-7-4-3-6(16(10,14)15)5-8(7)12(2)9(11)13/h3-5H,1-2H3,(H2,10,14,15).
What are the key properties of 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 241.27 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 751861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).