4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide

C22H20ClN3O3S — CID 10551163

IUPAC4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1C1CC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)=NN1
InChIInChI=1S/C22H20ClN3O3S/c1-29-22-5-3-2-4-19(22)21-14-20(24-25-21)15-6-10-17(11-7-15)26-30(27,28)18-12-8-16(23)9-13-18/h2-13,21,25-26H,14H2,1H3
InChIKeyWHOQSICYAHOYOJ-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.59
Rot. Bonds6

About 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide

4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 10551163) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
PubChem CID10551163
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1C1CC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)=NN1
InChIInChI=1S/C22H20ClN3O3S/c1-29-22-5-3-2-4-19(22)21-14-20(24-25-21)15-6-10-17(11-7-15)26-30(27,28)18-12-8-16(23)9-13-18/h2-13,21,25-26H,14H2,1H3
InChIKeyWHOQSICYAHOYOJ-UHFFFAOYSA-N
XLogP4.59
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide 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

4-chloro-N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide
CID 10527153
N-[4-[2-acetyl-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-4-fluorobenzenesulfonamide
CID 71060265
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 4103570
N-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10629350
2-[(2R,6R)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485771
2-[(2S,6S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485772
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-chloro-N-[4-[3-(4-methoxyphenyl)-2-propan-2-yl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 71085024
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 23800160
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide (CID 10551163) is 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide is COc1ccccc1C1CC(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)=NN1.
What is the InChIKey of 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is WHOQSICYAHOYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-29-22-5-3-2-4-19(22)21-14-20(24-25-21)15-6-10-17(11-7-15)26-30(27,28)18-12-8-16(23)9-13-18/h2-13,21,25-26H,14H2,1H3.
What are the key properties of 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide?
4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 441.94 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10551163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).