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

C19H18ClF2N3O3S — CID 163234045

IUPAC5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCC(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C19H18ClF2N3O3S/c1-29(27,28)24-4-2-11(3-5-24)14-6-12-10-23-25(17(12)9-15(14)20)13-7-16(21)19(22)18(26)8-13/h6-11,26H,2-5H2,1H3
InChIKeySGYQMSDVOXVQKZ-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.80
Rot. Bonds3

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

5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol (PubChem CID 163234045) has the molecular formula C19H18ClF2N3O3S and a molecular weight of 441.89 g/mol. Its IUPAC name is 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol
PubChem CID163234045
Molecular FormulaC19H18ClF2N3O3S
Molecular Weight441.89 g/mol
Exact Mass441.07
IUPAC Name5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCC(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C19H18ClF2N3O3S/c1-29(27,28)24-4-2-11(3-5-24)14-6-12-10-23-25(17(12)9-15(14)20)13-7-16(21)19(22)18(26)8-13/h6-11,26H,2-5H2,1H3
InChIKeySGYQMSDVOXVQKZ-UHFFFAOYSA-N
XLogP3.80
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163233801
5-(6-Chloro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233870
5-(6-Cloro-5-(2-chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233880
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
4-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-1-(methylsulfonyl)piperidine-4-carbonitrile
CID 163233971
5-(5-(2-Chloro-4-morpholinophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233972
5-(6-Chloro-5-(4-(phenylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233991
N-(3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)acetamide
CID 163233992
2,3-Difluoro-5-(5-(1-(methylsulfonyl)piperidin-4-yl)-1H-indazol-1-yl)phenol
CID 163233994
5-(5-(4-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233999
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
N-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)methanesulfonamide
CID 163234039

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol?
The IUPAC name of 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol (CID 163234045) is 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol is CS(=O)(=O)N1CCC(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1.
What is the InChIKey of 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol?
The InChIKey is SGYQMSDVOXVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3S/c1-29(27,28)24-4-2-11(3-5-24)14-6-12-10-23-25(17(12)9-15(14)20)13-7-16(21)19(22)18(26)8-13/h6-11,26H,2-5H2,1H3.
What are the key properties of 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol?
5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol has a molecular weight of 441.89 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(1-methylsulfonylpiperidin-4-yl)indazol-1-yl]-2,3-difluorophenol is sourced from PubChem (CID 163234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).