2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole

C16H13F2N3O2S — CID 90505896

IUPAC2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H13F2N3O2S/c17-11-5-6-12(18)15(7-11)24(22,23)21-8-10(9-21)16-19-13-3-1-2-4-14(13)20-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyQEDDNSNGOBLXAW-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole

2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole (PubChem CID 90505896) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
PubChem CID90505896
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H13F2N3O2S/c17-11-5-6-12(18)15(7-11)24(22,23)21-8-10(9-21)16-19-13-3-1-2-4-14(13)20-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyQEDDNSNGOBLXAW-UHFFFAOYSA-N
XLogP2.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
CID 71783829
2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505895
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505893
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole (CID 90505896) is 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole is O=S(=O)(c1cc(F)ccc1F)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The InChIKey is QEDDNSNGOBLXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-11-5-6-12(18)15(7-11)24(22,23)21-8-10(9-21)16-19-13-3-1-2-4-14(13)20-16/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole has a molecular weight of 349.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 90505896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).