N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide

C15H17N3O4S — CID 169489701

IUPACN-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide
SMILESO=C1NC2CCC(NS(=O)(=O)c3coc4ccccc34)CC2N1
InChIInChI=1S/C15H17N3O4S/c19-15-16-11-6-5-9(7-12(11)17-15)18-23(20,21)14-8-22-13-4-2-1-3-10(13)14/h1-4,8-9,11-12,18H,5-7H2,(H2,16,17,19)
InChIKeyATQDRVKUHCBGBB-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.31
Rot. Bonds3

About N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide

N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide (PubChem CID 169489701) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide
PubChem CID169489701
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide
SMILESO=C1NC2CCC(NS(=O)(=O)c3coc4ccccc34)CC2N1
InChIInChI=1S/C15H17N3O4S/c19-15-16-11-6-5-9(7-12(11)17-15)18-23(20,21)14-8-22-13-4-2-1-3-10(13)14/h1-4,8-9,11-12,18H,5-7H2,(H2,16,17,19)
InChIKeyATQDRVKUHCBGBB-UHFFFAOYSA-N
XLogP1.31
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide?
The IUPAC name of N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide (CID 169489701) is N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide.
What is the SMILES notation for N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide?
The canonical SMILES for N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide is O=C1NC2CCC(NS(=O)(=O)c3coc4ccccc34)CC2N1.
What is the InChIKey of N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide?
The InChIKey is ATQDRVKUHCBGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-15-16-11-6-5-9(7-12(11)17-15)18-23(20,21)14-8-22-13-4-2-1-3-10(13)14/h1-4,8-9,11-12,18H,5-7H2,(H2,16,17,19).
What are the key properties of N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide?
N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)-1-benzofuran-3-sulfonamide is sourced from PubChem (CID 169489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).