2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide

C10H13N3O3S — CID 28819101

IUPAC2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide
SMILESCCCn1c(=O)[nH]c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyGLSSKTDYKDTABW-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.39
Rot. Bonds3

About 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide

2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide (PubChem CID 28819101) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide
PubChem CID28819101
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide
SMILESCCCn1c(=O)[nH]c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyGLSSKTDYKDTABW-UHFFFAOYSA-N
XLogP0.39
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide (CID 28819101) is 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide is CCCn1c(=O)[nH]c2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is GLSSKTDYKDTABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16).
What are the key properties of 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide?
2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 28819101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).