2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol

C19H19F2N3O3S — CID 163233994

IUPAC2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3
InChIKeyCZFDDEMFEQQPNC-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.15
Rot. Bonds3

About 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol (PubChem CID 163233994) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
PubChem CID163233994
Molecular FormulaC19H19F2N3O3S
Molecular Weight407.44 g/mol
Exact Mass407.11
IUPAC Name2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol
SMILESCS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1
InChIInChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3
InChIKeyCZFDDEMFEQQPNC-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.15
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-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol (CID 163233994) is 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol is CS(=O)(=O)N1CCC(c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)CC1.
What is the InChIKey of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
The InChIKey is CZFDDEMFEQQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c1-28(26,27)23-6-4-12(5-7-23)13-2-3-17-14(8-13)11-22-24(17)15-9-16(20)19(21)18(25)10-15/h2-3,8-12,25H,4-7H2,1H3.
What are the key properties of 2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol has a molecular weight of 407.44 g/mol, XLogP of 3.15, 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-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]phenol is sourced from PubChem (CID 163233994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).