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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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).