N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide

C25H23FN4O3S — CID 69167323

IUPACN-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide
SMILESCC(COc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)N(C)S(=O)(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H23FN4O3S/c1-16(30(2)34(31,32)21-8-10-23-18(13-21)11-12-27-23)15-33-20-7-9-24-22(14-20)25(29-28-24)17-3-5-19(26)6-4-17/h3-14,16,27H,15H2,1-2H3,(H,28,29)
InChIKeyKUAYZJKLOKCRID-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.94
Rot. Bonds7

About N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide

N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide (PubChem CID 69167323) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide
PubChem CID69167323
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC NameN-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide
SMILESCC(COc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)N(C)S(=O)(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C25H23FN4O3S/c1-16(30(2)34(31,32)21-8-10-23-18(13-21)11-12-27-23)15-33-20-7-9-24-22(14-20)25(29-28-24)17-3-5-19(26)6-4-17/h3-14,16,27H,15H2,1-2H3,(H,28,29)
InChIKeyKUAYZJKLOKCRID-UHFFFAOYSA-N
XLogP4.94
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide?
The IUPAC name of N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide (CID 69167323) is N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide?
The canonical SMILES for N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide is CC(COc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1)N(C)S(=O)(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide?
The InChIKey is KUAYZJKLOKCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-16(30(2)34(31,32)21-8-10-23-18(13-21)11-12-27-23)15-33-20-7-9-24-22(14-20)25(29-28-24)17-3-5-19(26)6-4-17/h3-14,16,27H,15H2,1-2H3,(H,28,29).
What are the key properties of N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide?
N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide has a molecular weight of 478.55 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(4-fluorophenyl)-1H-indazol-5-yl]oxy]propan-2-yl]-N-methyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 69167323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).