2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole

C15H12F2N2O2S2 — CID 34382170

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole
SMILESO=S(=O)(CCSc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1
InChIInChI=1S/C15H12F2N2O2S2/c16-11-8-13-14(9-12(11)17)19-15(18-13)22-6-7-23(20,21)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyCHZBJFQIMYOPLJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole

2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 34382170) has the molecular formula C15H12F2N2O2S2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole
PubChem CID34382170
Molecular FormulaC15H12F2N2O2S2
Molecular Weight354.40 g/mol
Exact Mass354.03
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole
SMILESO=S(=O)(CCSc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1
InChIInChI=1S/C15H12F2N2O2S2/c16-11-8-13-14(9-12(11)17)19-15(18-13)22-6-7-23(20,21)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyCHZBJFQIMYOPLJ-UHFFFAOYSA-N
XLogP3.41
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 84616870
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 33361420
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 1046644
2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
5,6-difluoro-2-prop-2-ynylsulfanyl-1H-benzimidazole
CID 84616894
3-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]ethyl]imidazolidine-2,4-dione
CID 39042087
5,6-difluoro-2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole
CID 11522249
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide
CID 34382681
2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47943191
(5,6-difluoro-1H-benzimidazol-2-yl) thiohypoiodite
CID 155081912
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole (CID 34382170) is 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole is O=S(=O)(CCSc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is CHZBJFQIMYOPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2S2/c16-11-8-13-14(9-12(11)17)19-15(18-13)22-6-7-23(20,21)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole?
2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 354.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 34382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).