3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C24H19ClFN3O3S — CID 58656527

IUPAC3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C24H19ClFN3O3S/c1-14-19(11-16(12-21(14)26)24(30)28-18-7-8-18)15-6-9-22-17(10-15)13-27-29(22)33(31,32)23-5-3-2-4-20(23)25/h2-6,9-13,18H,7-8H2,1H3,(H,28,30)
InChIKeyNCXDBVWGXNNHSL-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.93
Rot. Bonds5

About 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 58656527) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID58656527
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC Name3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C24H19ClFN3O3S/c1-14-19(11-16(12-21(14)26)24(30)28-18-7-8-18)15-6-9-22-17(10-15)13-27-29(22)33(31,32)23-5-3-2-4-20(23)25/h2-6,9-13,18H,7-8H2,1H3,(H,28,30)
InChIKeyNCXDBVWGXNNHSL-UHFFFAOYSA-N
XLogP4.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.93
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-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
3-[1-(4-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 44528590
(R)-N-((S)-3-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl)-3-phenylbutanamide
CID 166025341
(S)-3-(4-chlorophenyl)-N-((S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl)butanamide
CID 166025534
(S)-N-((S)-3-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl)-3-phenylbutanamide
CID 166025574
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 9981143
N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide
CID 10001901
N-cyclopropyl-4-methyl-3-[1-[4-(trifluoromethyl)phenyl]sulfonylindazol-5-yl]benzamide
CID 10006129
N-cyclopropyl-3-fluoro-4-methyl-5-(1-propan-2-ylsulfonylindazol-5-yl)benzamide
CID 10024868

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 58656527) is 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is NCXDBVWGXNNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c1-14-19(11-16(12-21(14)26)24(30)28-18-7-8-18)15-6-9-22-17(10-15)13-27-29(22)33(31,32)23-5-3-2-4-20(23)25/h2-6,9-13,18H,7-8H2,1H3,(H,28,30).
What are the key properties of 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 483.95 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 58656527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).