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5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

C18H17ClF2N4O3S — CID 163233870

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3
InChIKeyZKSTXUWHEDHEGL-UHFFFAOYSA-N
MW442.88 g/mol
LogP2.74
Rot. Bonds3

About 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (PubChem CID 163233870) has the molecular formula C18H17ClF2N4O3S and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
PubChem CID163233870
Molecular FormulaC18H17ClF2N4O3S
Molecular Weight442.88 g/mol
Exact Mass442.07
IUPAC Name5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3
InChIKeyZKSTXUWHEDHEGL-UHFFFAOYSA-N
XLogP2.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The IUPAC name of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (CID 163233870) is 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is CS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1.
What is the InChIKey of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The InChIKey is ZKSTXUWHEDHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3.
What are the key properties of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol has a molecular weight of 442.88 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is sourced from PubChem (CID 163233870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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