N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide

C19H20F3N3O3S — CID 70563853

IUPACN-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CO)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H20F3N3O3S/c1-3-18(12-26,13-7-9-14(10-8-13)19(20,21)22)25-17-6-4-5-16(15(17)11-23-25)24-29(2,27)28/h4-11,24,26H,3,12H2,1-2H3
InChIKeyLVZXRQTVJFPQQB-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.57
Rot. Bonds6

About N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide

N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70563853) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide
PubChem CID70563853
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC NameN-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CO)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H20F3N3O3S/c1-3-18(12-26,13-7-9-14(10-8-13)19(20,21)22)25-17-6-4-5-16(15(17)11-23-25)24-29(2,27)28/h4-11,24,26H,3,12H2,1-2H3
InChIKeyLVZXRQTVJFPQQB-UHFFFAOYSA-N
XLogP3.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide (CID 70563853) is N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide is CCC(CO)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is LVZXRQTVJFPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c1-3-18(12-26,13-7-9-14(10-8-13)19(20,21)22)25-17-6-4-5-16(15(17)11-23-25)24-29(2,27)28/h4-11,24,26H,3,12H2,1-2H3.
What are the key properties of N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide?
N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 427.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-hydroxy-2-[4-(trifluoromethyl)phenyl]butan-2-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).