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

C14H23F2N5O4S — CID 140884705

IUPAC6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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(CF)CC4)CC32)O1
InChIInChI=1S/C14H23F2N5O4S/c1-7-18-19-13(25-7)21-10-5-11(8(16)4-9(10)17-12(21)22)26(23,24)20-14(6-15)2-3-14/h7-11,13,18-20H,2-6H2,1H3,(H,17,22)
InChIKeyDHXYJZLNRJOHIP-UHFFFAOYSA-N
MW395.43 g/mol
LogP-0.58
Rot. Bonds5

About 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide (PubChem CID 140884705) has the molecular formula C14H23F2N5O4S and a molecular weight of 395.43 g/mol. Its IUPAC name is 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide
PubChem CID140884705
Molecular FormulaC14H23F2N5O4S
Molecular Weight395.43 g/mol
Exact Mass395.14
IUPAC Name6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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(CF)CC4)CC32)O1
InChIInChI=1S/C14H23F2N5O4S/c1-7-18-19-13(25-7)21-10-5-11(8(16)4-9(10)17-12(21)22)26(23,24)20-14(6-15)2-3-14/h7-11,13,18-20H,2-6H2,1H3,(H,17,22)
InChIKeyDHXYJZLNRJOHIP-UHFFFAOYSA-N
XLogP-0.58
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole-5-sulfonamide (CID 140884705) is 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-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(CF)CC4)CC32)O1.
What is the InChIKey of 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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 DHXYJZLNRJOHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5O4S/c1-7-18-19-13(25-7)21-10-5-11(8(16)4-9(10)17-12(21)22)26(23,24)20-14(6-15)2-3-14/h7-11,13,18-20H,2-6H2,1H3,(H,17,22).
What are the key properties of 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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-(fluoromethyl)cyclopropyl]-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 395.43 g/mol, XLogP of -0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(fluoromethyl)cyclopropyl]-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 140884705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).