5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole

C14H8ClF3N2O3S — CID 141252380

IUPAC5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C14H8ClF3N2O3S/c15-10-5-11-12(20-7-19-11)6-13(10)24(21,22)9-3-1-8(2-4-9)23-14(16,17)18/h1-7H,(H,19,20)
InChIKeyYRTWXBBLZMIKKZ-UHFFFAOYSA-N
MW376.74 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole

5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole (PubChem CID 141252380) has the molecular formula C14H8ClF3N2O3S and a molecular weight of 376.74 g/mol. Its IUPAC name is 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
PubChem CID141252380
Molecular FormulaC14H8ClF3N2O3S
Molecular Weight376.74 g/mol
Exact Mass375.99
IUPAC Name5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc2[nH]cnc2cc1Cl
InChIInChI=1S/C14H8ClF3N2O3S/c15-10-5-11-12(20-7-19-11)6-13(10)24(21,22)9-3-1-8(2-4-9)23-14(16,17)18/h1-7H,(H,19,20)
InChIKeyYRTWXBBLZMIKKZ-UHFFFAOYSA-N
XLogP3.95
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole?
The IUPAC name of 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole (CID 141252380) is 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole is O=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc2[nH]cnc2cc1Cl.
What is the InChIKey of 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole?
The InChIKey is YRTWXBBLZMIKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3S/c15-10-5-11-12(20-7-19-11)6-13(10)24(21,22)9-3-1-8(2-4-9)23-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole?
5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole has a molecular weight of 376.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazole is sourced from PubChem (CID 141252380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).