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

C45H37F9N8O8S4 — CID 157398535

IUPAC2-[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(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.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;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);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31)
InChIKeyBMWIBABFKXAFIA-UHFFFAOYSA-N
MW1117.09 g/mol
LogP9.46
Rot. Bonds15

About 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-(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 157398535) has the molecular formula C45H37F9N8O8S4 and a molecular weight of 1117.09 g/mol. Its IUPAC name is 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-(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 CID157398535
Molecular FormulaC45H37F9N8O8S4
Molecular Weight1117.09 g/mol
Exact Mass1116.15
IUPAC Name2-[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(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.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;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);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31)
InChIKeyBMWIBABFKXAFIA-UHFFFAOYSA-N
XLogP9.46
TPSA256.03 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.09
LogP ≤ 59.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 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

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
6-[5-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10436869
6-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 11203237
6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 17981636
1-Isopropylsulfonyl-2-amino-6-(2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole methanesulfonate
CID 17981639
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341467
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007841
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900
2-[2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007942
2-[2-(2-phenylethynyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008012

Frequently Asked Questions

What is the IUPAC name of 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-(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 157398535) is 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-(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-(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(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-(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 BMWIBABFKXAFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O4S2.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;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);1-6,8-11,13,29H,7,12H2,(H,27,28)(H2,26,30,31).
What are the key properties of 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-(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 1117.09 g/mol, XLogP of 9.46, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 157398535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).