3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide

C24H21ClFN3O3S — CID 134522795

IUPAC3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O3S/c1-2-33(31,32)14-13-27-24(30)16-7-12-20-22(15-16)29(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,2,13-14H2,1H3,(H,27,30)
InChIKeyRORZKYLORXWEGA-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.65
Rot. Bonds7

About 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522795) has the molecular formula C24H21ClFN3O3S and a molecular weight of 485.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522795
Molecular FormulaC24H21ClFN3O3S
Molecular Weight485.97 g/mol
Exact Mass485.10
IUPAC Name3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H21ClFN3O3S/c1-2-33(31,32)14-13-27-24(30)16-7-12-20-22(15-16)29(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,2,13-14H2,1H3,(H,27,30)
InChIKeyRORZKYLORXWEGA-UHFFFAOYSA-N
XLogP4.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522795) is 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide is CCS(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is RORZKYLORXWEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O3S/c1-2-33(31,32)14-13-27-24(30)16-7-12-20-22(15-16)29(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,2,13-14H2,1H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).