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

C21H24F3N3O3S — CID 73053077

IUPACN-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H24F3N3O3S/c1-4-19(28)20(5-2,14-9-11-15(12-10-14)21(22,23)24)27-18-8-6-7-17(16(18)13-25-27)26-31(3,29)30/h6-13,19,26,28H,4-5H2,1-3H3
InChIKeyASSOYOVZFAFEDA-UHFFFAOYSA-N
MW455.50 g/mol
LogP4.35
Rot. Bonds7

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

N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 73053077) has the molecular formula C21H24F3N3O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID73053077
Molecular FormulaC21H24F3N3O3S
Molecular Weight455.50 g/mol
Exact Mass455.15
IUPAC NameN-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C21H24F3N3O3S/c1-4-19(28)20(5-2,14-9-11-15(12-10-14)21(22,23)24)27-18-8-6-7-17(16(18)13-25-27)26-31(3,29)30/h6-13,19,26,28H,4-5H2,1-3H3
InChIKeyASSOYOVZFAFEDA-UHFFFAOYSA-N
XLogP4.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (CID 73053077) is N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide is CCC(O)C(CC)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is ASSOYOVZFAFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3S/c1-4-19(28)20(5-2,14-9-11-15(12-10-14)21(22,23)24)27-18-8-6-7-17(16(18)13-25-27)26-31(3,29)30/h6-13,19,26,28H,4-5H2,1-3H3.
What are the key properties of N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 455.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 73053077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).