3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride

C17H15ClF2N2O3S — CID 154251411

IUPAC3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride
SMILESCC(C)Cn1nc(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C17H15ClF2N2O3S/c1-10(2)9-22-15-8-12(26(18,23)24)4-5-13(15)17(21-22)25-16-6-3-11(19)7-14(16)20/h3-8,10H,9H2,1-2H3
InChIKeyQDWOYDUHBCNHOF-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.69
Rot. Bonds5

About 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride

3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride (PubChem CID 154251411) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride
PubChem CID154251411
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride
SMILESCC(C)Cn1nc(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C17H15ClF2N2O3S/c1-10(2)9-22-15-8-12(26(18,23)24)4-5-13(15)17(21-22)25-16-6-3-11(19)7-14(16)20/h3-8,10H,9H2,1-2H3
InChIKeyQDWOYDUHBCNHOF-UHFFFAOYSA-N
XLogP4.69
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride?
The IUPAC name of 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride (CID 154251411) is 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride?
The canonical SMILES for 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride is CC(C)Cn1nc(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride?
The InChIKey is QDWOYDUHBCNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c1-10(2)9-22-15-8-12(26(18,23)24)4-5-13(15)17(21-22)25-16-6-3-11(19)7-14(16)20/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride?
3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride has a molecular weight of 400.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-1-(2-methylpropyl)indazole-6-sulfonyl chloride is sourced from PubChem (CID 154251411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).