6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide

C14H24FN5O4S — CID 140884852

IUPAC6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide
SMILESCC1NNC(N2C(=O)NC3CC(F)C(S(=O)(=O)NC4(C)CC4)CC32)O1
InChIInChI=1S/C14H24FN5O4S/c1-7-17-18-13(24-7)20-10-6-11(8(15)5-9(10)16-12(20)21)25(22,23)19-14(2)3-4-14/h7-11,13,17-19H,3-6H2,1-2H3,(H,16,21)
InChIKeyVJQNKZSUERJYPW-UHFFFAOYSA-N
MW377.44 g/mol
LogP-0.52
Rot. Bonds4

About 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide

6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide (PubChem CID 140884852) has the molecular formula C14H24FN5O4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide
PubChem CID140884852
Molecular FormulaC14H24FN5O4S
Molecular Weight377.44 g/mol
Exact Mass377.15
IUPAC Name6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide
SMILESCC1NNC(N2C(=O)NC3CC(F)C(S(=O)(=O)NC4(C)CC4)CC32)O1
InChIInChI=1S/C14H24FN5O4S/c1-7-17-18-13(24-7)20-10-6-11(8(15)5-9(10)16-12(20)21)25(22,23)19-14(2)3-4-14/h7-11,13,17-19H,3-6H2,1-2H3,(H,16,21)
InChIKeyVJQNKZSUERJYPW-UHFFFAOYSA-N
XLogP-0.52
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide?
The IUPAC name of 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide (CID 140884852) is 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide is CC1NNC(N2C(=O)NC3CC(F)C(S(=O)(=O)NC4(C)CC4)CC32)O1.
What is the InChIKey of 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide?
The InChIKey is VJQNKZSUERJYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5O4S/c1-7-17-18-13(24-7)20-10-6-11(8(15)5-9(10)16-12(20)21)25(22,23)19-14(2)3-4-14/h7-11,13,17-19H,3-6H2,1-2H3,(H,16,21).
What are the key properties of 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide?
6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide has a molecular weight of 377.44 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 140884852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).