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

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

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Related Compounds

ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate
CID 119037523
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 100613262
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
7-ethyl-2-[[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 99802775
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
2-[1,2-dihydroxy-2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carbaldehyde
CID 21026309

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).