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

C71H52F6N8O10S4 — CID 123332376

About 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

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 (PubChem CID 123332376) has the molecular formula C71H52F6N8O10S4 and a molecular weight of 1419.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 123332376
• Molecular Formula: C71H52F6N8O10S4
• Molecular Weight: 1419.50 g/mol
• Exact Mass: 1418.26
• IUPAC Name: 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
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(C#Cc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)c1ccc(C#Cc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CS(=O)(=O)c1ccc(C#Cc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
• InChI: InChI=1S/C26H19F3N2O2.C23H16F3N3O4S2.C22H17N3O4S2/c1-16(32)21-5-3-4-6-22(21)19-10-13-23-24(15-19)31-25(30-23)14-9-18-7-11-20(12-8-18)33-17(2)26(27,28)29;1-34(30,31)17-10-6-15(7-11-17)8-13-22-27-20-12-9-16(14-21(20)28-22)18-4-2-3-5-19(18)29-35(32,33)23(24,25)26;1-30(26,27)17-10-6-15(7-11-17)8-13-22-24-19-12-9-16(14-20(19)25-22)18-4-2-3-5-21(18)31(23,28)29/h3-8,10-13,15,17H,1-2H3,(H,30,31);2-7,9-12,14,29H,1H3,(H,27,28);2-7,9-12,14H,1H3,(H,24,25)(H2,23,28,29)
• InChIKey: OJDSGLWRRYNYJK-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 286.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.50
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)c1ccccc1-c1ccc2nc(C#Cc3ccc(OC(C)C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)c1ccc(C#Cc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CS(=O)(=O)c1ccc(C#Cc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.

What is the InChIKey of 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?

The InChIKey is OJDSGLWRRYNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2.C23H16F3N3O4S2.C22H17N3O4S2/c1-16(32)21-5-3-4-6-22(21)19-10-13-23-24(15-19)31-25(30-23)14-9-18-7-11-20(12-8-18)33-17(2)26(27,28)29;1-34(30,31)17-10-6-15(7-11-17)8-13-22-27-20-12-9-16(14-21(20)28-22)18-4-2-3-5-19(18)29-35(32,33)23(24,25)26;1-30(26,27)17-10-6-15(7-11-17)8-13-22-24-19-12-9-16(14-20(19)25-22)18-4-2-3-5-21(18)31(23,28)29/h3-8,10-13,15,17H,1-2H3,(H,30,31);2-7,9-12,14,29H,1H3,(H,27,28);2-7,9-12,14H,1H3,(H,24,25)(H2,23,28,29).

What are the key properties of 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?

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 has a molecular weight of 1419.50 g/mol, XLogP of 13.14, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 123332376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).