6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide

C16H16F2N4O5S — CID 69094768

IUPAC6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide
SMILESCOc1ccnc(N(C)S(=O)(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChIInChI=1S/C16H16F2N4O5S/c1-22(14-13(26-3)12(25-2)6-7-19-14)28(23,24)16-20-10-5-4-9(27-15(17)18)8-11(10)21-16/h4-8,15H,1-3H3,(H,20,21)
InChIKeyPEBOWUXBKIBCBF-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.40
Rot. Bonds7

About 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide

6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide (PubChem CID 69094768) has the molecular formula C16H16F2N4O5S and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide
PubChem CID69094768
Molecular FormulaC16H16F2N4O5S
Molecular Weight414.39 g/mol
Exact Mass414.08
IUPAC Name6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide
SMILESCOc1ccnc(N(C)S(=O)(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChIInChI=1S/C16H16F2N4O5S/c1-22(14-13(26-3)12(25-2)6-7-19-14)28(23,24)16-20-10-5-4-9(27-15(17)18)8-11(10)21-16/h4-8,15H,1-3H3,(H,20,21)
InChIKeyPEBOWUXBKIBCBF-UHFFFAOYSA-N
XLogP2.40
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

bis(6-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);dihydrate
CID 68952729
sodium;6-(difluoromethoxy)-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfonyl]-1H-benzimidazole;hydride
CID 173153274
2-[[4-(deuteriomethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-(difluoromethoxy)-1H-benzimidazole
CID 87489373
2-[(R)-[4-(dideuteriomethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-(difluoromethoxy)-1H-benzimidazole
CID 87488432
sodium;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydride;2-methylpropan-1-ol
CID 173041620
6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole
CID 152712087
magnesium;disodium;bis(6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);bis(6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole)
CID 173170359
sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfonyl]benzimidazol-1-ide
CID 45359059
sodium 6-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide
CID 71772146
lithium 5-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide
CID 23673338
dicalcium;6-(difluoromethoxy)-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 71811241
sodium 1-[5-(difluoromethoxy)benzimidazol-1-id-2-yl]-2-(3,4-dimethoxy-2-pyridinyl)ethanone
CID 71736324

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide?
The IUPAC name of 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide (CID 69094768) is 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide.
What is the SMILES notation for 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide?
The canonical SMILES for 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide is COc1ccnc(N(C)S(=O)(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC.
What is the InChIKey of 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide?
The InChIKey is PEBOWUXBKIBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O5S/c1-22(14-13(26-3)12(25-2)6-7-19-14)28(23,24)16-20-10-5-4-9(27-15(17)18)8-11(10)21-16/h4-8,15H,1-3H3,(H,20,21).
What are the key properties of 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide?
6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide has a molecular weight of 414.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide is sourced from PubChem (CID 69094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).