2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C25H19F6N3O3S — CID 59007831

IUPAC2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(C(F)(F)F)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H19F6N3O3S/c26-24(27,28)23(25(29,30)31)37-15-8-5-13(6-9-15)17-12-18(17)22-33-19-10-7-14(11-20(19)34-22)16-3-1-2-4-21(16)38(32,35)36/h1-11,17-18,23H,12H2,(H,33,34)(H2,32,35,36)
InChIKeyMAOPLAQZXPCHJZ-UHFFFAOYSA-N
MW555.50 g/mol
LogP6.02
Rot. Bonds6

About 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59007831) has the molecular formula C25H19F6N3O3S and a molecular weight of 555.50 g/mol. Its IUPAC name is 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59007831
Molecular FormulaC25H19F6N3O3S
Molecular Weight555.50 g/mol
Exact Mass555.11
IUPAC Name2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(C(F)(F)F)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H19F6N3O3S/c26-24(27,28)23(25(29,30)31)37-15-8-5-13(6-9-15)17-12-18(17)22-33-19-10-7-14(11-20(19)34-22)16-3-1-2-4-21(16)38(32,35)36/h1-11,17-18,23H,12H2,(H,33,34)(H2,32,35,36)
InChIKeyMAOPLAQZXPCHJZ-UHFFFAOYSA-N
XLogP6.02
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 56.02
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59007831) is 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(C(F)(F)F)C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is MAOPLAQZXPCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F6N3O3S/c26-24(27,28)23(25(29,30)31)37-15-8-5-13(6-9-15)17-12-18(17)22-33-19-10-7-14(11-20(19)34-22)16-3-1-2-4-21(16)38(32,35)36/h1-11,17-18,23H,12H2,(H,33,34)(H2,32,35,36).
What are the key properties of 2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 555.50 g/mol, XLogP of 6.02, 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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59007831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).