N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide

C20H20F5N3O3S — CID 72722204

IUPACN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H20F5N3O3S/c1-3-19(17(29)18(21)22,12-7-9-13(10-8-12)20(23,24)25)28-16-6-4-5-15(14(16)11-26-28)27-32(2,30)31/h4-11,17-18,27,29H,3H2,1-2H3
InChIKeyFXBAUZLTWRVSNU-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.21
Rot. Bonds7

About N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 72722204) has the molecular formula C20H20F5N3O3S and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID72722204
Molecular FormulaC20H20F5N3O3S
Molecular Weight477.46 g/mol
Exact Mass477.11
IUPAC NameN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H20F5N3O3S/c1-3-19(17(29)18(21)22,12-7-9-13(10-8-12)20(23,24)25)28-16-6-4-5-15(14(16)11-26-28)27-32(2,30)31/h4-11,17-18,27,29H,3H2,1-2H3
InChIKeyFXBAUZLTWRVSNU-UHFFFAOYSA-N
XLogP4.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide (CID 72722204) is N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is FXBAUZLTWRVSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O3S/c1-3-19(17(29)18(21)22,12-7-9-13(10-8-12)20(23,24)25)28-16-6-4-5-15(14(16)11-26-28)27-32(2,30)31/h4-11,17-18,27,29H,3H2,1-2H3.
What are the key properties of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 477.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 72722204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).