2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide

C22H13Cl2F2N5O2S — CID 166048165

About 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide

2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide (PubChem CID 166048165) has the molecular formula C22H13Cl2F2N5O2S and a molecular weight of 520.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide
• PubChem CID: 166048165
• Molecular Formula: C22H13Cl2F2N5O2S
• Molecular Weight: 520.35 g/mol
• Exact Mass: 519.01
• IUPAC Name: 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)n[nH]c3c2)c1F)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C22H13Cl2F2N5O2S/c23-12-2-4-14(24)18(10-12)34(32,33)31-16-6-5-15(25)19(20(16)26)11-1-3-13-17(9-11)29-30-21(13)22-27-7-8-28-22/h1-10,31H,(H,27,28)(H,29,30)
• InChIKey: RKXFOGNOPWPKCZ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.35
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide?

The IUPAC name of 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide (CID 166048165) is 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide.

What is the SMILES notation for 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide?

The canonical SMILES for 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)n[nH]c3c2)c1F)c1cc(Cl)ccc1Cl.

What is the InChIKey of 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide?

The InChIKey is RKXFOGNOPWPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F2N5O2S/c23-12-2-4-14(24)18(10-12)34(32,33)31-16-6-5-15(25)19(20(16)26)11-1-3-13-17(9-11)29-30-21(13)22-27-7-8-28-22/h1-10,31H,(H,27,28)(H,29,30).

What are the key properties of 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide?

2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide has a molecular weight of 520.35 g/mol, XLogP of 6.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2,4-difluoro-3-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166048165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).