2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide

C68H55F12N11O11S5 — CID 160784489

IUPAC2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(Nc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C23H18F6N4O4S2.C23H18F3N3O3S.C22H19F3N4O4S2/c24-22(25,26)38(34,35)32-16-9-5-14(6-10-16)7-12-21-30-19-11-8-15(13-20(19)31-21)17-3-1-2-4-18(17)33-39(36,37)23(27,28)29;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;23-22(24,25)35(32,33)29-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)34(26,30)31/h1-6,8-11,13,32-33H,7,12H2,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31)
InChIKeySBAIDYIEFGFWBQ-UHFFFAOYSA-N
MW1590.56 g/mol
LogP14.51
Rot. Bonds20

About 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide

2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 160784489) has the molecular formula C68H55F12N11O11S5 and a molecular weight of 1590.56 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
PubChem CID160784489
Molecular FormulaC68H55F12N11O11S5
Molecular Weight1590.56 g/mol
Exact Mass1589.25
IUPAC Name2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(Nc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C23H18F6N4O4S2.C23H18F3N3O3S.C22H19F3N4O4S2/c24-22(25,26)38(34,35)32-16-9-5-14(6-10-16)7-12-21-30-19-11-8-15(13-20(19)31-21)17-3-1-2-4-18(17)33-39(36,37)23(27,28)29;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;23-22(24,25)35(32,33)29-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)34(26,30)31/h1-6,8-11,13,32-33H,7,12H2,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31)
InChIKeySBAIDYIEFGFWBQ-UHFFFAOYSA-N
XLogP14.51
TPSA354.10 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001590.56
LogP ≤ 514.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381102
2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007833
methanesulfonic acid;6-[5-phenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981835
2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24757994
2-[2-[(E)-2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758123
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]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758698
2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24759693
2-[2-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24958719
1,1,1-trifluoro-N-[2-[2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53345445
2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345554
2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345660

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-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide (CID 160784489) is 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(OC(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(Nc1ccc(CCc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is SBAIDYIEFGFWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O4S2.C23H18F3N3O3S.C22H19F3N4O4S2/c24-22(25,26)38(34,35)32-16-9-5-14(6-10-16)7-12-21-30-19-11-8-15(13-20(19)31-21)17-3-1-2-4-18(17)33-39(36,37)23(27,28)29;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;23-22(24,25)35(32,33)29-16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)34(26,30)31/h1-6,8-11,13,32-33H,7,12H2,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31).
What are the key properties of 2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[4-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 1590.56 g/mol, XLogP of 14.51, 20 rotatable bonds, 8 hydrogen bond donors, and 14 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-(trifluoromethylsulfonylamino)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(trifluoromethylsulfonylamino)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 160784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).