N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C23H17Cl3F3N3O3S — CID 24768614

IUPACN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17Cl3F3N3O3S/c24-15-3-1-14(2-4-15)22-12-17(31-32(22)21-10-5-16(25)11-20(21)26)13-30-36(33,34)19-8-6-18(7-9-19)35-23(27,28)29/h1-11,22,30H,12-13H2
InChIKeyPOHOCJPPQXZXAC-UHFFFAOYSA-N
MW578.83 g/mol
LogP6.83
Rot. Bonds7

About N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24768614) has the molecular formula C23H17Cl3F3N3O3S and a molecular weight of 578.83 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID24768614
Molecular FormulaC23H17Cl3F3N3O3S
Molecular Weight578.83 g/mol
Exact Mass577.00
IUPAC NameN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17Cl3F3N3O3S/c24-15-3-1-14(2-4-15)22-12-17(31-32(22)21-10-5-16(25)11-20(21)26)13-30-36(33,34)19-8-6-18(7-9-19)35-23(27,28)29/h1-11,22,30H,12-13H2
InChIKeyPOHOCJPPQXZXAC-UHFFFAOYSA-N
XLogP6.83
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.83
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide 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-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 24768614) is N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is POHOCJPPQXZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3F3N3O3S/c24-15-3-1-14(2-4-15)22-12-17(31-32(22)21-10-5-16(25)11-20(21)26)13-30-36(33,34)19-8-6-18(7-9-19)35-23(27,28)29/h1-11,22,30H,12-13H2.
What are the key properties of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 578.83 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24768614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).