2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide

C22H12Cl2F3N5O2S — CID 166048171

About 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide

2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide (PubChem CID 166048171) has the molecular formula C22H12Cl2F3N5O2S and a molecular weight of 538.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
• PubChem CID: 166048171
• Molecular Formula: C22H12Cl2F3N5O2S
• Molecular Weight: 538.34 g/mol
• Exact Mass: 537.00
• IUPAC Name: 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C22H12Cl2F3N5O2S/c23-12-2-1-3-15(17(12)24)35(33,34)32-14-7-6-13(25)16(19(14)27)10-4-5-11-20(18(10)26)30-31-21(11)22-28-8-9-29-22/h1-9,32H,(H,28,29)(H,30,31)
• InChIKey: FBQQNNZYTXBFHZ-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 103.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.34
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide?

The IUPAC name of 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide (CID 166048171) is 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide.

What is the SMILES notation for 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide?

The canonical SMILES for 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F)c1cccc(Cl)c1Cl.

What is the InChIKey of 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide?

The InChIKey is FBQQNNZYTXBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2F3N5O2S/c23-12-2-1-3-15(17(12)24)35(33,34)32-14-7-6-13(25)16(19(14)27)10-4-5-11-20(18(10)26)30-31-21(11)22-28-8-9-29-22/h1-9,32H,(H,28,29)(H,30,31).

What are the key properties of 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide?

2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide has a molecular weight of 538.34 g/mol, XLogP of 6.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166048171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).