N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide

C35H23ClF2N8O4S2 — CID 123769441

About N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide (PubChem CID 123769441) has the molecular formula C35H23ClF2N8O4S2 and a molecular weight of 757.20 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide
• PubChem CID: 123769441
• Molecular Formula: C35H23ClF2N8O4S2
• Molecular Weight: 757.20 g/mol
• Exact Mass: 756.09
• IUPAC Name: N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide
• SMILES: O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncc(-c4ccc(F)c(NS(=O)(=O)c5ccc6nc(-c7ccccc7)[nH]c6c5)c4F)[nH]3)[nH]c2c1
• InChI: InChI=1S/C35H23ClF2N8O4S2/c36-23-8-4-5-9-25(23)45-51(47,48)20-10-15-27-29(16-20)43-35(41-27)34-39-18-30(44-34)22-12-13-24(37)32(31(22)38)46-52(49,50)21-11-14-26-28(17-21)42-33(40-26)19-6-2-1-3-7-19/h1-18,45-46H,(H,39,44)(H,40,42)(H,41,43)
• InChIKey: WAQUVAKOZRNSMA-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 178.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.20
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide?

The IUPAC name of N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide (CID 123769441) is N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ncc(-c4ccc(F)c(NS(=O)(=O)c5ccc6nc(-c7ccccc7)[nH]c6c5)c4F)[nH]3)[nH]c2c1.

What is the InChIKey of N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide?

The InChIKey is WAQUVAKOZRNSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23ClF2N8O4S2/c36-23-8-4-5-9-25(23)45-51(47,48)20-10-15-27-29(16-20)43-35(41-27)34-39-18-30(44-34)22-12-13-24(37)32(31(22)38)46-52(49,50)21-11-14-26-28(17-21)42-33(40-26)19-6-2-1-3-7-19/h1-18,45-46H,(H,39,44)(H,40,42)(H,41,43).

What are the key properties of N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide?

N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 757.20 g/mol, XLogP of 7.70, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 123769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).