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

C69H54F9N9O9S4 — CID 159020983

IUPAC2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O4S2.C23H18F3N3O3S.C23H18F3N3O2S/c24-23(25,26)34(30,31)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)35(27,32)33;24-23(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;24-23(25,26)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)32(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,32,33);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)
InChIKeyJTRPQISRCORPQJ-UHFFFAOYSA-N
MW1452.49 g/mol
LogP14.66
Rot. Bonds14

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

2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 159020983) has the molecular formula C69H54F9N9O9S4 and a molecular weight of 1452.49 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID159020983
Molecular FormulaC69H54F9N9O9S4
Molecular Weight1452.49 g/mol
Exact Mass1451.28
IUPAC Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O4S2.C23H18F3N3O3S.C23H18F3N3O2S/c24-23(25,26)34(30,31)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)35(27,32)33;24-23(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;24-23(25,26)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)32(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,32,33);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)
InChIKeyJTRPQISRCORPQJ-UHFFFAOYSA-N
XLogP14.66
TPSA309.89 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.49
LogP ≤ 514.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

2-[2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758468
2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007831
2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007956
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008032
2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008121
2-[2-[2-[4-(2,2,3-trifluoropropoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 68254180
2-[2-[2-(4-ethoxyphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 123268445
2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 123286737
1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 123294107
2-[2-[2-(4-methylsulfonylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123332376
N-[2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123375885
2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123414949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 159020983) is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)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;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JTRPQISRCORPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S2.C23H18F3N3O3S.C23H18F3N3O2S/c24-23(25,26)34(30,31)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)35(27,32)33;24-23(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;24-23(25,26)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)32(27,30)31/h1-11,17-18H,12H2,(H,28,29)(H2,27,32,33);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-11,17-18H,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-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1452.49 g/mol, XLogP of 14.66, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 159020983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).