2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol

C17H15F2N3O3S — CID 163233956

IUPAC2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)C1CN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1
InChIInChI=1S/C17H15F2N3O3S/c1-26(24,25)13-8-21(9-13)11-2-3-15-10(4-11)7-20-22(15)12-5-14(18)17(19)16(23)6-12/h2-7,13,23H,8-9H2,1H3
InChIKeySTMGCAREMMIVDC-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.24
Rot. Bonds3

About 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol (PubChem CID 163233956) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol
PubChem CID163233956
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)C1CN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1
InChIInChI=1S/C17H15F2N3O3S/c1-26(24,25)13-8-21(9-13)11-2-3-15-10(4-11)7-20-22(15)12-5-14(18)17(19)16(23)6-12/h2-7,13,23H,8-9H2,1H3
InChIKeySTMGCAREMMIVDC-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol (CID 163233956) is 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol is CS(=O)(=O)C1CN(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1.
What is the InChIKey of 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol?
The InChIKey is STMGCAREMMIVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-26(24,25)13-8-21(9-13)11-2-3-15-10(4-11)7-20-22(15)12-5-14(18)17(19)16(23)6-12/h2-7,13,23H,8-9H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol has a molecular weight of 379.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(3-methylsulfonylazetidin-1-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163233956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).