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

C23H18F3N3O3S — CID 59008032

IUPAC2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)32-15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)33(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)
InChIKeyVOVBIXGVBXHCCH-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.05
Rot. Bonds5

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

2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59008032) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59008032
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O3S/c24-23(25,26)32-15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)33(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)
InChIKeyVOVBIXGVBXHCCH-UHFFFAOYSA-N
XLogP5.05
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.05
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-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59008032) is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is VOVBIXGVBXHCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c24-23(25,26)32-15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)33(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).