N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide

C21H23F4N3O3S — CID 73053221

IUPACN-[6-fluoro-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)cc(F)cc21
InChIInChI=1S/C21H23F4N3O3S/c1-4-19(29)20(5-2,13-6-8-14(9-7-13)21(23,24)25)28-18-11-15(22)10-17(16(18)12-26-28)27-32(3,30)31/h6-12,19,27,29H,4-5H2,1-3H3
InChIKeyASILSYVNRKIGPS-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.49
Rot. Bonds7

About N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide

N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 73053221) has the molecular formula C21H23F4N3O3S and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID73053221
Molecular FormulaC21H23F4N3O3S
Molecular Weight473.49 g/mol
Exact Mass473.14
IUPAC NameN-[6-fluoro-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)cc(F)cc21
InChIInChI=1S/C21H23F4N3O3S/c1-4-19(29)20(5-2,13-6-8-14(9-7-13)21(23,24)25)28-18-11-15(22)10-17(16(18)12-26-28)27-32(3,30)31/h6-12,19,27,29H,4-5H2,1-3H3
InChIKeyASILSYVNRKIGPS-UHFFFAOYSA-N
XLogP4.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide (CID 73053221) is N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-fluoro-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)cc(F)cc21.
What is the InChIKey of N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is ASILSYVNRKIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N3O3S/c1-4-19(29)20(5-2,13-6-8-14(9-7-13)21(23,24)25)28-18-11-15(22)10-17(16(18)12-26-28)27-32(3,30)31/h6-12,19,27,29H,4-5H2,1-3H3.
What are the key properties of N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide?
N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 473.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 73053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).