2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol

C18H17F2N3O3S — CID 163233931

IUPAC2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol
SMILESO=S(=O)(c1ccc2c(cnn2-c2cc(O)c(F)c(F)c2)c1)N1CCCCC1
InChIInChI=1S/C18H17F2N3O3S/c19-15-9-13(10-17(24)18(15)20)23-16-5-4-14(8-12(16)11-21-23)27(25,26)22-6-2-1-3-7-22/h4-5,8-11,24H,1-3,6-7H2
InChIKeyBTULMVQXWDBRTH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.18
Rot. Bonds3

About 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol

2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol (PubChem CID 163233931) has the molecular formula C18H17F2N3O3S and a molecular weight of 393.42 g/mol. Its IUPAC name is 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol.

Molecular Properties

Compound Name2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol
PubChem CID163233931
Molecular FormulaC18H17F2N3O3S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol
SMILESO=S(=O)(c1ccc2c(cnn2-c2cc(O)c(F)c(F)c2)c1)N1CCCCC1
InChIInChI=1S/C18H17F2N3O3S/c19-15-9-13(10-17(24)18(15)20)23-16-5-4-14(8-12(16)11-21-23)27(25,26)22-6-2-1-3-7-22/h4-5,8-11,24H,1-3,6-7H2
InChIKeyBTULMVQXWDBRTH-UHFFFAOYSA-N
XLogP3.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol?
The IUPAC name of 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol (CID 163233931) is 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol.
What is the SMILES notation for 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol?
The canonical SMILES for 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol is O=S(=O)(c1ccc2c(cnn2-c2cc(O)c(F)c(F)c2)c1)N1CCCCC1.
What is the InChIKey of 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol?
The InChIKey is BTULMVQXWDBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S/c19-15-9-13(10-17(24)18(15)20)23-16-5-4-14(8-12(16)11-21-23)27(25,26)22-6-2-1-3-7-22/h4-5,8-11,24H,1-3,6-7H2.
What are the key properties of 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol?
2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol has a molecular weight of 393.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(5-piperidin-1-ylsulfonylindazol-1-yl)phenol is sourced from PubChem (CID 163233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).