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

C21H22F5N3O3S — CID 118195027

IUPACN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(c1ccc(C(F)(F)F)cc1)C(C)O
InChIInChI=1S/C21H22F5N3O3S/c1-3-33(31,32)28-17-5-4-6-18-16(17)12-27-29(18)20(13(2)30,11-19(22)23)14-7-9-15(10-8-14)21(24,25)26/h4-10,12-13,19,28,30H,3,11H2,1-2H3
InChIKeyRICIKXQEUYYMNF-UHFFFAOYSA-N
MW491.48 g/mol
LogP4.60
Rot. Bonds8

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

N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide (PubChem CID 118195027) has the molecular formula C21H22F5N3O3S and a molecular weight of 491.48 g/mol. Its IUPAC name is N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
PubChem CID118195027
Molecular FormulaC21H22F5N3O3S
Molecular Weight491.48 g/mol
Exact Mass491.13
IUPAC NameN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(c1ccc(C(F)(F)F)cc1)C(C)O
InChIInChI=1S/C21H22F5N3O3S/c1-3-33(31,32)28-17-5-4-6-18-16(17)12-27-29(18)20(13(2)30,11-19(22)23)14-7-9-15(10-8-14)21(24,25)26/h4-10,12-13,19,28,30H,3,11H2,1-2H3
InChIKeyRICIKXQEUYYMNF-UHFFFAOYSA-N
XLogP4.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-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-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide (CID 118195027) is N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(c1ccc(C(F)(F)F)cc1)C(C)O.
What is the InChIKey of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide?
The InChIKey is RICIKXQEUYYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N3O3S/c1-3-33(31,32)28-17-5-4-6-18-16(17)12-27-29(18)20(13(2)30,11-19(22)23)14-7-9-15(10-8-14)21(24,25)26/h4-10,12-13,19,28,30H,3,11H2,1-2H3.
What are the key properties of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide?
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide has a molecular weight of 491.48 g/mol, XLogP of 4.60, 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-4-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 118195027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).