N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide

C20H22F3N3O3S — CID 155545121

IUPACN-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(C(F)(F)F)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
InChIKeyGKBSBEVPPBUZJM-YFKXAPIDSA-N
MW441.48 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 155545121) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID155545121
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(C(F)(F)F)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1
InChIKeyGKBSBEVPPBUZJM-YFKXAPIDSA-N
XLogP3.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 72722204
N-[1-[1,1-difluoro-4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73051033
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]ethanesulfonamide
CID 73051036
N-[1-[1,1-difluoro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]-6-fluoroindazol-4-yl]ethanesulfonamide
CID 73051184
N-(1-(3-(4-bromophenyl)-2-hydroxypentan-3-yl)-1H-indazol-4-yl) methanesulfonamide
CID 73053075
N-(1-(-3-(4-bromophenyl)-4-hydroxyhexan-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 73053076
N-[1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73053077
N-[6-fluoro-1-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]hexan-3-yl]indazol-4-yl]methanesulfonamide
CID 73053221
N-[6-fluoro-1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155536089
N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 155565026
N-[1-[1-cyano-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 57524058
N-[1-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 57524239

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide (CID 155545121) is N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide is CC[C@@](c1ccc(C(F)(F)F)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is GKBSBEVPPBUZJM-YFKXAPIDSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c1-4-19(13(2)27,14-8-10-15(11-9-14)20(21,22)23)26-18-7-5-6-17(16(18)12-24-26)25-30(3,28)29/h5-13,25,27H,4H2,1-3H3/t13?,19-/m0/s1.
What are the key properties of N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 441.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]pentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 155545121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).