2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C24H20F3N3O3S — CID 59007956

IUPAC2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OCC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O3S/c25-24(26,27)13-33-16-8-5-14(6-9-16)18-12-19(18)23-29-20-10-7-15(11-21(20)30-23)17-3-1-2-4-22(17)34(28,31)32/h1-11,18-19H,12-13H2,(H,29,30)(H2,28,31,32)
InChIKeyWQNPOUXNDTVLCW-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.09
Rot. Bonds6

About 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59007956) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59007956
Molecular FormulaC24H20F3N3O3S
Molecular Weight487.50 g/mol
Exact Mass487.12
IUPAC Name2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OCC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O3S/c25-24(26,27)13-33-16-8-5-14(6-9-16)18-12-19(18)23-29-20-10-7-15(11-21(20)30-23)17-3-1-2-4-22(17)34(28,31)32/h1-11,18-19H,12-13H2,(H,29,30)(H2,28,31,32)
InChIKeyWQNPOUXNDTVLCW-UHFFFAOYSA-N
XLogP5.09
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59007956) is 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OCC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is WQNPOUXNDTVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c25-24(26,27)13-33-16-8-5-14(6-9-16)18-12-19(18)23-29-20-10-7-15(11-21(20)30-23)17-3-1-2-4-22(17)34(28,31)32/h1-11,18-19H,12-13H2,(H,29,30)(H2,28,31,32).
What are the key properties of 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 487.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59007956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).