5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide

C19H21ClFN5O2S — CID 22267397

IUPAC5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESC/N=C(\NS(=O)(=O)N(C)C)N1CC(c2ccccc2F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H21ClFN5O2S/c1-22-19(24-29(27,28)25(2)3)26-12-16(15-6-4-5-7-17(15)21)18(23-26)13-8-10-14(20)11-9-13/h4-11,16H,12H2,1-3H3,(H,22,24)
InChIKeyYFDIVKWIEOIQIL-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.66
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide

5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 22267397) has the molecular formula C19H21ClFN5O2S and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID22267397
Molecular FormulaC19H21ClFN5O2S
Molecular Weight437.93 g/mol
Exact Mass437.11
IUPAC Name5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide
SMILESC/N=C(\NS(=O)(=O)N(C)C)N1CC(c2ccccc2F)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H21ClFN5O2S/c1-22-19(24-29(27,28)25(2)3)26-12-16(15-6-4-5-7-17(15)21)18(23-26)13-8-10-14(20)11-9-13/h4-11,16H,12H2,1-3H3,(H,22,24)
InChIKeyYFDIVKWIEOIQIL-UHFFFAOYSA-N
XLogP2.66
TPSA77.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide 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 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide (CID 22267397) is 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide is C/N=C(\NS(=O)(=O)N(C)C)N1CC(c2ccccc2F)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is YFDIVKWIEOIQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2S/c1-22-19(24-29(27,28)25(2)3)26-12-16(15-6-4-5-7-17(15)21)18(23-26)13-8-10-14(20)11-9-13/h4-11,16H,12H2,1-3H3,(H,22,24).
What are the key properties of 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide?
5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 437.93 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(dimethylsulfamoyl)-4-(2-fluorophenyl)-N'-methyl-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 22267397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).