5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide

C24H21Cl3FN3O3S — CID 59410931

IUPAC5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide
SMILESCCOc1ccc(C2CC(CNS(=O)(=O)c3cc(Cl)ccc3F)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H21Cl3FN3O3S/c1-2-34-19-7-3-15(4-8-19)23-13-18(30-31(23)22-10-6-16(25)11-20(22)27)14-29-35(32,33)24-12-17(26)5-9-21(24)28/h3-12,23,29H,2,13-14H2,1H3
InChIKeyFLNMTJVTLADFTC-UHFFFAOYSA-N
MW556.87 g/mol
LogP6.47
Rot. Bonds8

About 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide

5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide (PubChem CID 59410931) has the molecular formula C24H21Cl3FN3O3S and a molecular weight of 556.87 g/mol. Its IUPAC name is 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide
PubChem CID59410931
Molecular FormulaC24H21Cl3FN3O3S
Molecular Weight556.87 g/mol
Exact Mass555.04
IUPAC Name5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide
SMILESCCOc1ccc(C2CC(CNS(=O)(=O)c3cc(Cl)ccc3F)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H21Cl3FN3O3S/c1-2-34-19-7-3-15(4-8-19)23-13-18(30-31(23)22-10-6-16(25)11-20(22)27)14-29-35(32,33)24-12-17(26)5-9-21(24)28/h3-12,23,29H,2,13-14H2,1H3
InChIKeyFLNMTJVTLADFTC-UHFFFAOYSA-N
XLogP6.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.87
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide 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-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide (CID 59410931) is 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide is CCOc1ccc(C2CC(CNS(=O)(=O)c3cc(Cl)ccc3F)=NN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide?
The InChIKey is FLNMTJVTLADFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3FN3O3S/c1-2-34-19-7-3-15(4-8-19)23-13-18(30-31(23)22-10-6-16(25)11-20(22)27)14-29-35(32,33)24-12-17(26)5-9-21(24)28/h3-12,23,29H,2,13-14H2,1H3.
What are the key properties of 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide?
5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide has a molecular weight of 556.87 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 59410931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).