N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide

C24H18F3N3O3S — CID 44528589

IUPACN-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-13-19(9-15(10-21(13)26)24(31)29-17-3-4-17)14-2-7-23-16(8-14)12-28-30(23)34(32,33)18-5-6-20(25)22(27)11-18/h2,5-12,17H,3-4H2,1H3,(H,29,31)
InChIKeyGCTQDLXUQCVILA-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.56
Rot. Bonds5

About N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide

N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide (PubChem CID 44528589) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
PubChem CID44528589
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC NameN-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-13-19(9-15(10-21(13)26)24(31)29-17-3-4-17)14-2-7-23-16(8-14)12-28-30(23)34(32,33)18-5-6-20(25)22(27)11-18/h2,5-12,17H,3-4H2,1H3,(H,29,31)
InChIKeyGCTQDLXUQCVILA-UHFFFAOYSA-N
XLogP4.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
CID 10253500
3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 10323269
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
3-[1-(4-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 44528590
N-Cyclopropyl-3-fluoro-4-methyl-5-[3-methyl-1-(2-thienylsulfonyl)-1H-indazol-5-yl]benzamide
CID 44528613
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide (CID 44528589) is N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide?
The InChIKey is GCTQDLXUQCVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c1-13-19(9-15(10-21(13)26)24(31)29-17-3-4-17)14-2-7-23-16(8-14)12-28-30(23)34(32,33)18-5-6-20(25)22(27)11-18/h2,5-12,17H,3-4H2,1H3,(H,29,31).
What are the key properties of N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide?
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide has a molecular weight of 485.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 44528589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).