N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide

C21H21F6N3O3S — CID 73051184

IUPACN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide
SMILESCCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(=O)(=O)CC)cc(F)cc21
InChIInChI=1S/C21H21F6N3O3S/c1-3-20(18(31)19(23)24,12-5-7-13(8-6-12)21(25,26)27)30-17-10-14(22)9-16(15(17)11-28-30)29-34(32,33)4-2/h5-11,18-19,29,31H,3-4H2,1-2H3
InChIKeyLTTREGATMVZSPI-UHFFFAOYSA-N
MW509.47 g/mol
LogP4.74
Rot. Bonds8

About N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide

N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide (PubChem CID 73051184) has the molecular formula C21H21F6N3O3S and a molecular weight of 509.47 g/mol. Its IUPAC name is N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide
PubChem CID73051184
Molecular FormulaC21H21F6N3O3S
Molecular Weight509.47 g/mol
Exact Mass509.12
IUPAC NameN-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide
SMILESCCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(=O)(=O)CC)cc(F)cc21
InChIInChI=1S/C21H21F6N3O3S/c1-3-20(18(31)19(23)24,12-5-7-13(8-6-12)21(25,26)27)30-17-10-14(22)9-16(15(17)11-28-30)29-34(32,33)4-2/h5-11,18-19,29,31H,3-4H2,1-2H3
InChIKeyLTTREGATMVZSPI-UHFFFAOYSA-N
XLogP4.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide 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 N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide (CID 73051184) is N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide is CCC(c1ccc(C(F)(F)F)cc1)(C(O)C(F)F)n1ncc2c(NS(=O)(=O)CC)cc(F)cc21.
What is the InChIKey of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide?
The InChIKey is LTTREGATMVZSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6N3O3S/c1-3-20(18(31)19(23)24,12-5-7-13(8-6-12)21(25,26)27)30-17-10-14(22)9-16(15(17)11-28-30)29-34(32,33)4-2/h5-11,18-19,29,31H,3-4H2,1-2H3.
What are the key properties of N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide?
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide has a molecular weight of 509.47 g/mol, XLogP of 4.74, 8 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]-6-fluoroindazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 73051184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).