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

C24H19F2N3O3S — CID 11754326

IUPACN-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H19F2N3O3S/c1-14-21(10-16(11-22(14)26)24(30)28-19-6-7-19)15-5-8-23-17(9-15)13-27-29(23)33(31,32)20-4-2-3-18(25)12-20/h2-5,8-13,19H,6-7H2,1H3,(H,28,30)
InChIKeyHBPUSPKBEIYAQH-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.42
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide (PubChem CID 11754326) has the molecular formula C24H19F2N3O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
PubChem CID11754326
Molecular FormulaC24H19F2N3O3S
Molecular Weight467.50 g/mol
Exact Mass467.11
IUPAC NameN-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H19F2N3O3S/c1-14-21(10-16(11-22(14)26)24(30)28-19-6-7-19)15-5-8-23-17(9-15)13-27-29(23)33(31,32)20-4-2-3-18(25)12-20/h2-5,8-13,19H,6-7H2,1H3,(H,28,30)
InChIKeyHBPUSPKBEIYAQH-UHFFFAOYSA-N
XLogP4.42
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide
CID 10389671
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 10027072
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
CID 11518436
N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
CID 58656502
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide;formic acid
CID 131739050
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
CID 58919704
N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide
CID 10323853
N-cyclopropyl-3-fluoro-4-methyl-5-[1-[4-(oxolan-2-ylmethylamino)phenyl]indazol-5-yl]benzamide;formic acid
CID 157091078
3-[2-(tert-butylamino)-1,3-benzothiazol-6-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283530
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indazole-5-carboxamide
CID 164625585
N-cyclopropyl-3-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
CID 25060357

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide (CID 11754326) is N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
The InChIKey is HBPUSPKBEIYAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3S/c1-14-21(10-16(11-22(14)26)24(30)28-19-6-7-19)15-5-8-23-17(9-15)13-27-29(23)33(31,32)20-4-2-3-18(25)12-20/h2-5,8-13,19H,6-7H2,1H3,(H,28,30).
What are the key properties of N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide has a molecular weight of 467.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 11754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).