8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C24H19F2N5O4S2 — CID 142223026

About 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 142223026) has the molecular formula C24H19F2N5O4S2 and a molecular weight of 543.58 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• PubChem CID: 142223026
• Molecular Formula: C24H19F2N5O4S2
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.08
• IUPAC Name: 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• SMILES: NC(=O)c1nn(-c2ccc(S(N)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc1-2
• InChI: InChI=1S/C24H19F2N5O4S2/c25-20-10-8-17(12-21(20)26)37(34,35)30-14-3-1-13-2-9-18-22(24(27)32)29-31(23(18)19(13)11-14)15-4-6-16(7-5-15)36(28)33/h1,3-8,10-12,30H,2,9,28H2,(H2,27,32)
• InChIKey: OUHSHAYKWWZXSX-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 150.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The IUPAC name of 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 142223026) is 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

What is the SMILES notation for 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The canonical SMILES for 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(S(N)=O)cc2)c2c1CCc1ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc1-2.

What is the InChIKey of 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

The InChIKey is OUHSHAYKWWZXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O4S2/c25-20-10-8-17(12-21(20)26)37(34,35)30-14-3-1-13-2-9-18-22(24(27)32)29-31(23(18)19(13)11-14)15-4-6-16(7-5-15)36(28)33/h1,3-8,10-12,30H,2,9,28H2,(H2,27,32).

What are the key properties of 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?

8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 543.58 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3,4-difluorophenyl)sulfonylamino]-1-(4-sulfinamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 142223026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).