N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H20FN5O3S — CID 43059495

IUPACN-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1
InChIInChI=1S/C22H20FN5O3S/c1-26(2)32(30,31)17-11-9-16(10-12-17)25-21(29)18-15-24-28(20-8-4-3-7-19(20)23)22(18)27-13-5-6-14-27/h3-15H,1-2H3,(H,25,29)
InChIKeyVSRIAVLKJGUWNX-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.30
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 43059495) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID43059495
Molecular FormulaC22H20FN5O3S
Molecular Weight453.50 g/mol
Exact Mass453.13
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1
InChIInChI=1S/C22H20FN5O3S/c1-26(2)32(30,31)17-11-9-16(10-12-17)25-21(29)18-15-24-28(20-8-4-3-7-19(20)23)22(18)27-13-5-6-14-27/h3-15H,1-2H3,(H,25,29)
InChIKeyVSRIAVLKJGUWNX-UHFFFAOYSA-N
XLogP3.30
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-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 N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 43059495) is N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is VSRIAVLKJGUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-26(2)32(30,31)17-11-9-16(10-12-17)25-21(29)18-15-24-28(20-8-4-3-7-19(20)23)22(18)27-13-5-6-14-27/h3-15H,1-2H3,(H,25,29).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43059495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).