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

C21H22F5N3O3S — CID 73051033

IUPACN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H22F5N3O3S/c1-3-18(30)20(11-19(22)23,13-7-9-14(10-8-13)21(24,25)26)29-17-6-4-5-16(15(17)12-27-29)28-33(2,31)32/h4-10,12,18-19,28,30H,3,11H2,1-2H3
InChIKeyXDZMYCHAYIIBDW-UHFFFAOYSA-N
MW491.48 g/mol
LogP4.60
Rot. Bonds8

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

N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 73051033) 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]hexan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID73051033
Molecular FormulaC21H22F5N3O3S
Molecular Weight491.48 g/mol
Exact Mass491.13
IUPAC NameN-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H22F5N3O3S/c1-3-18(30)20(11-19(22)23,13-7-9-14(10-8-13)21(24,25)26)29-17-6-4-5-16(15(17)12-27-29)28-33(2,31)32/h4-10,12,18-19,28,30H,3,11H2,1-2H3
InChIKeyXDZMYCHAYIIBDW-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]hexan-3-yl]indazol-4-yl]methanesulfonamide 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]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (CID 73051033) is N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide is CCC(O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is XDZMYCHAYIIBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N3O3S/c1-3-18(30)20(11-19(22)23,13-7-9-14(10-8-13)21(24,25)26)29-17-6-4-5-16(15(17)12-27-29)28-33(2,31)32/h4-10,12,18-19,28,30H,3,11H2,1-2H3.
What are the key properties of N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide 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]hexan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 73051033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).