N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

C21H19N3O3S2 — CID 5199866

IUPACN-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C21H19N3O3S2/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-28-20)24(22-18)21(25)16-6-3-2-4-7-16/h2-13,19,23H,14H2,1H3
InChIKeyBFFFQHPVMQHXOI-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 5199866) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID5199866
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC NameN-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C21H19N3O3S2/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-28-20)24(22-18)21(25)16-6-3-2-4-7-16/h2-13,19,23H,14H2,1H3
InChIKeyBFFFQHPVMQHXOI-UHFFFAOYSA-N
XLogP4.11
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
CID 2963394
Phenyl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 4322336
N-{3-[1-(4-methylbenzoyl)-5-thien-2-yl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 3979143
N-[4-[2-(cyclohexanecarbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4087131
N-{4-[1-(2-methylpropanoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 4092587
N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4225471
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4875494
N-{4-[1-(2-Methylbenzoyl)-5-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 5066214
N-{4-[N-(2-methylbenzoyl)ethanehydrazonoyl]phenyl}-2-thiophenecarboxamide
CID 5509203
N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6116707
N-[(E)-1-phenylethylideneamino]-4-(2-thienylsulfonylamino)benzamide
CID 9623759
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 9627167

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 5199866) is N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is BFFFQHPVMQHXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(20-8-5-13-28-20)24(22-18)21(25)16-6-3-2-4-7-16/h2-13,19,23H,14H2,1H3.
What are the key properties of N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 425.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 5199866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).