1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole

C14H7Cl2F3N2O2S — CID 154248512

IUPAC1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole
SMILESO=S(=O)(c1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H7Cl2F3N2O2S/c15-9-6-11-12(7-10(9)16)21(13(20-11)14(17,18)19)24(22,23)8-4-2-1-3-5-8/h1-7H
InChIKeySCULGSABYQORFM-UHFFFAOYSA-N
MW395.19 g/mol
LogP4.60
Rot. Bonds2

About 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole

1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole (PubChem CID 154248512) has the molecular formula C14H7Cl2F3N2O2S and a molecular weight of 395.19 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole
PubChem CID154248512
Molecular FormulaC14H7Cl2F3N2O2S
Molecular Weight395.19 g/mol
Exact Mass393.96
IUPAC Name1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole
SMILESO=S(=O)(c1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H7Cl2F3N2O2S/c15-9-6-11-12(7-10(9)16)21(13(20-11)14(17,18)19)24(22,23)8-4-2-1-3-5-8/h1-7H
InChIKeySCULGSABYQORFM-UHFFFAOYSA-N
XLogP4.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5,6-dichloro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]methyl]isoindole-1,3-dione
CID 11846686
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
5,6-dichloro-1-(3-nitrophenyl)sulfonyl-2-propylbenzimidazole
CID 141108033
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 27509574
1-(benzenesulfonyl)-6-fluoro-2-iodopyrrolo[3,2-b]pyridine
CID 123134965
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
CID 71321268
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
4-[[5,6-dichloro-2-(1,1,2-trifluoroethyl)benzimidazol-1-yl]methyl]benzaldehyde
CID 87219339
3-[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]propanoic acid
CID 86098647
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
1-(benzenesulfonyl)-2-[2-(2-chlorophenyl)ethyl]-6-prop-2-enylbenzimidazole
CID 140992536

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole (CID 154248512) is 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole is O=S(=O)(c1ccccc1)n1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole?
The InChIKey is SCULGSABYQORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O2S/c15-9-6-11-12(7-10(9)16)21(13(20-11)14(17,18)19)24(22,23)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole?
1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole has a molecular weight of 395.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5,6-dichloro-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 154248512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).