3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide

C24H22ClFN4O3S — CID 142354451

IUPAC3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H22ClFN4O3S/c1-29(2)34(32,33)14-13-27-24(31)16-7-12-20-22(15-16)30(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,13-14H2,1-2H3,(H,27,31)
InChIKeyAZZPIOUSFZCVSM-UHFFFAOYSA-N
MW500.98 g/mol
LogP4.11
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 142354451) has the molecular formula C24H22ClFN4O3S and a molecular weight of 500.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID142354451
Molecular FormulaC24H22ClFN4O3S
Molecular Weight500.98 g/mol
Exact Mass500.11
IUPAC Name3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H22ClFN4O3S/c1-29(2)34(32,33)14-13-27-24(31)16-7-12-20-22(15-16)30(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,13-14H2,1-2H3,(H,27,31)
InChIKeyAZZPIOUSFZCVSM-UHFFFAOYSA-N
XLogP4.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.98
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 142354451) is 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is AZZPIOUSFZCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3S/c1-29(2)34(32,33)14-13-27-24(31)16-7-12-20-22(15-16)30(18-10-8-17(26)9-11-18)28-23(20)19-5-3-4-6-21(19)25/h3-12,15H,13-14H2,1-2H3,(H,27,31).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-[2-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 500.98 g/mol, XLogP of 4.11, 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-(dimethylsulfamoyl)ethyl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 142354451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).