6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one

C15H13N3O3S — CID 169489682

IUPAC6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(S(=O)(=O)N3CCc4ccccc43)C=C2N1
InChIInChI=1S/C15H13N3O3S/c19-15-16-12-6-5-11(9-13(12)17-15)22(20,21)18-8-7-10-3-1-2-4-14(10)18/h1-6,9,11H,7-8H2,(H,17,19)
InChIKeyOFLZAYUNCXMNLG-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.37
Rot. Bonds2

About 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one

6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 169489682) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one
PubChem CID169489682
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(S(=O)(=O)N3CCc4ccccc43)C=C2N1
InChIInChI=1S/C15H13N3O3S/c19-15-16-12-6-5-11(9-13(12)17-15)22(20,21)18-8-7-10-3-1-2-4-14(10)18/h1-6,9,11H,7-8H2,(H,17,19)
InChIKeyOFLZAYUNCXMNLG-UHFFFAOYSA-N
XLogP1.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one (CID 169489682) is 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(S(=O)(=O)N3CCc4ccccc43)C=C2N1.
What is the InChIKey of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is OFLZAYUNCXMNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-15-16-12-6-5-11(9-13(12)17-15)22(20,21)18-8-7-10-3-1-2-4-14(10)18/h1-6,9,11H,7-8H2,(H,17,19).
What are the key properties of 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one?
6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-ylsulfonyl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 169489682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).