3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide

C21H20F3N3O5S — CID 23092962

IUPAC3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)c(F)c3)cc(OC(CF)CF)c2)n1
InChIInChI=1S/C21H20F3N3O5S/c1-27-6-5-20(26-27)25-21(28)13-7-15(9-16(8-13)32-17(11-22)12-23)31-14-3-4-19(18(24)10-14)33(2,29)30/h3-10,17H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyAFXZFGYRXBFNQB-UHFFFAOYSA-N
MW483.47 g/mol
LogP3.69
Rot. Bonds9

About 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide

3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 23092962) has the molecular formula C21H20F3N3O5S and a molecular weight of 483.47 g/mol. Its IUPAC name is 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID23092962
Molecular FormulaC21H20F3N3O5S
Molecular Weight483.47 g/mol
Exact Mass483.11
IUPAC Name3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)c(F)c3)cc(OC(CF)CF)c2)n1
InChIInChI=1S/C21H20F3N3O5S/c1-27-6-5-20(26-27)25-21(28)13-7-15(9-16(8-13)32-17(11-22)12-23)31-14-3-4-19(18(24)10-14)33(2,29)30/h3-10,17H,11-12H2,1-2H3,(H,25,26,28)
InChIKeyAFXZFGYRXBFNQB-UHFFFAOYSA-N
XLogP3.69
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide (CID 23092962) is 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)c(F)c3)cc(OC(CF)CF)c2)n1.
What is the InChIKey of 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AFXZFGYRXBFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5S/c1-27-6-5-20(26-27)25-21(28)13-7-15(9-16(8-13)32-17(11-22)12-23)31-14-3-4-19(18(24)10-14)33(2,29)30/h3-10,17H,11-12H2,1-2H3,(H,25,26,28).
What are the key properties of 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide?
3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 483.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-difluoropropan-2-yloxy)-5-(3-fluoro-4-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 23092962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).