3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide

C16H15F2N3O3S — CID 100674244

IUPAC3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2nc([C@@H](C)NS(=O)(=O)c3cc(F)cc(F)c3)[nH]c2c1
InChIInChI=1S/C16H15F2N3O3S/c1-9(16-19-14-4-3-12(24-2)8-15(14)20-16)21-25(22,23)13-6-10(17)5-11(18)7-13/h3-9,21H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyPYCFPVVAFKJSFR-SECBINFHSA-N
MW367.38 g/mol
LogP2.89
Rot. Bonds5

About 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide

3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 100674244) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID100674244
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc2nc([C@@H](C)NS(=O)(=O)c3cc(F)cc(F)c3)[nH]c2c1
InChIInChI=1S/C16H15F2N3O3S/c1-9(16-19-14-4-3-12(24-2)8-15(14)20-16)21-25(22,23)13-6-10(17)5-11(18)7-13/h3-9,21H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyPYCFPVVAFKJSFR-SECBINFHSA-N
XLogP2.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide (CID 100674244) is 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide is COc1ccc2nc([C@@H](C)NS(=O)(=O)c3cc(F)cc(F)c3)[nH]c2c1.
What is the InChIKey of 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is PYCFPVVAFKJSFR-SECBINFHSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c1-9(16-19-14-4-3-12(24-2)8-15(14)20-16)21-25(22,23)13-6-10(17)5-11(18)7-13/h3-9,21H,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide?
3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 367.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 100674244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).