N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide

C24H18F2N4O3S — CID 171097872

IUPACN-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2-c2cc3c(cc2-c2ccc(F)cc2F)C(=O)NC3)cn1
InChIInChI=1S/C24H18F2N4O3S/c1-30-13-16(12-28-30)34(32,33)29-23-5-3-2-4-18(23)20-8-14-11-27-24(31)19(14)10-21(20)17-7-6-15(25)9-22(17)26/h2-10,12-13,29H,11H2,1H3,(H,27,31)
InChIKeyNNXWORNVRDOGLI-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.08
Rot. Bonds5

About N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide

N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 171097872) has the molecular formula C24H18F2N4O3S and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID171097872
Molecular FormulaC24H18F2N4O3S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC NameN-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2-c2cc3c(cc2-c2ccc(F)cc2F)C(=O)NC3)cn1
InChIInChI=1S/C24H18F2N4O3S/c1-30-13-16(12-28-30)34(32,33)29-23-5-3-2-4-18(23)20-8-14-11-27-24(31)19(14)10-21(20)17-7-6-15(25)9-22(17)26/h2-10,12-13,29H,11H2,1H3,(H,27,31)
InChIKeyNNXWORNVRDOGLI-UHFFFAOYSA-N
XLogP4.08
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
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
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
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
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
4-chloro-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155549078
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155555991
US10023592, Example 41
CID 118021649

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide (CID 171097872) is N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccccc2-c2cc3c(cc2-c2ccc(F)cc2F)C(=O)NC3)cn1.
What is the InChIKey of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is NNXWORNVRDOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3S/c1-30-13-16(12-28-30)34(32,33)29-23-5-3-2-4-18(23)20-8-14-11-27-24(31)19(14)10-21(20)17-7-6-15(25)9-22(17)26/h2-10,12-13,29H,11H2,1H3,(H,27,31).
What are the key properties of N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 480.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 171097872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).