2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid

C19H18F3N3O4S — CID 90031080

IUPAC2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H18F3N3O4S/c1-3-18(17(26)27,12-7-9-13(10-8-12)19(20,21)22)25-16-6-4-5-15(14(16)11-23-25)24-30(2,28)29/h4-11,24H,3H2,1-2H3,(H,26,27)
InChIKeyLJELQMQRTXYOIU-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.66
Rot. Bonds6

About 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid

2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 90031080) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid
PubChem CID90031080
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC Name2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESCCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H18F3N3O4S/c1-3-18(17(26)27,12-7-9-13(10-8-12)19(20,21)22)25-16-6-4-5-15(14(16)11-23-25)24-30(2,28)29/h4-11,24H,3H2,1-2H3,(H,26,27)
InChIKeyLJELQMQRTXYOIU-UHFFFAOYSA-N
XLogP3.66
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide
CID 161107254
N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562836
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70564480
N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562766
1,1-difluoro-3-[4-(methylamino)indazol-1-yl]-3-[4-(trifluoromethyl)phenyl]pentan-2-ol;sulfane
CID 160946878
N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide
CID 123528792
N-[1-[(E)-3-(4-chlorophenyl)-1-isocyanopent-1-en-3-yl]indazol-4-yl]methanesulfonamide
CID 123895178
[1-(2-methyl-1-methylsulfonylpropan-2-yl)indazol-4-yl]carbamic acid
CID 174235963
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-(2,2,2-trifluoroethyl)butanamide
CID 70560860
2-(4-chlorophenyl)-2-[4-(methanesulfonamido)indol-1-yl]-N-methylbutanamide
CID 76555707
N-[1-[1-amino-1-hydroxy-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]butan-2-yl]-6-fluoroindazol-4-yl]methanesulfonamide
CID 118200094
methyl 2-(4-chlorophenyl)-2-[4-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]indazol-1-yl]butanoate
CID 70565947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid (CID 90031080) is 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid is CCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is LJELQMQRTXYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-3-18(17(26)27,12-7-9-13(10-8-12)19(20,21)22)25-16-6-4-5-15(14(16)11-23-25)24-30(2,28)29/h4-11,24H,3H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid?
2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 441.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 90031080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).