6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

C13H16FN3O3S — CID 121415870

IUPAC6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3(C)CC3)c(F)cc21
InChIInChI=1S/C13H16FN3O3S/c1-13(4-5-13)15-21(19,20)11-7-10-9(6-8(11)14)16(2)12(18)17(10)3/h6-7,15H,4-5H2,1-3H3
InChIKeyJSBLOBZBQAPHED-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.85
Rot. Bonds3

About 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 121415870) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID121415870
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3(C)CC3)c(F)cc21
InChIInChI=1S/C13H16FN3O3S/c1-13(4-5-13)15-21(19,20)11-7-10-9(6-8(11)14)16(2)12(18)17(10)3/h6-7,15H,4-5H2,1-3H3
InChIKeyJSBLOBZBQAPHED-UHFFFAOYSA-N
XLogP0.85
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (CID 121415870) is 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3(C)CC3)c(F)cc21.
What is the InChIKey of 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is JSBLOBZBQAPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-13(4-5-13)15-21(19,20)11-7-10-9(6-8(11)14)16(2)12(18)17(10)3/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dimethyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 121415870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).