N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide

C18H15F3N4O3S — CID 168830449

IUPACN-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nn(-c2ccc(C(F)(F)F)cc2)c2ccc(OCC#N)cc12
InChIInChI=1S/C18H15F3N4O3S/c1-29(26,27)23-11-16-15-10-14(28-9-8-22)6-7-17(15)25(24-16)13-4-2-12(3-5-13)18(19,20)21/h2-7,10,23H,9,11H2,1H3
InChIKeyWYQOAFWYIPTIMS-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.00
Rot. Bonds6

About N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide

N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide (PubChem CID 168830449) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide
PubChem CID168830449
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nn(-c2ccc(C(F)(F)F)cc2)c2ccc(OCC#N)cc12
InChIInChI=1S/C18H15F3N4O3S/c1-29(26,27)23-11-16-15-10-14(28-9-8-22)6-7-17(15)25(24-16)13-4-2-12(3-5-13)18(19,20)21/h2-7,10,23H,9,11H2,1H3
InChIKeyWYQOAFWYIPTIMS-UHFFFAOYSA-N
XLogP3.00
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]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-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide (CID 168830449) is N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nn(-c2ccc(C(F)(F)F)cc2)c2ccc(OCC#N)cc12.
What is the InChIKey of N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide?
The InChIKey is WYQOAFWYIPTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-29(26,27)23-11-16-15-10-14(28-9-8-22)6-7-17(15)25(24-16)13-4-2-12(3-5-13)18(19,20)21/h2-7,10,23H,9,11H2,1H3.
What are the key properties of N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide?
N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide has a molecular weight of 424.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyanomethoxy)-1-[4-(trifluoromethyl)phenyl]indazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 168830449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).