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

C23H17Cl3F3N3O2S — CID 25056295

IUPACN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17Cl3F3N3O2S/c24-16-6-4-14(5-7-16)22-12-18(31-32(22)21-9-8-17(25)11-20(21)26)13-30-35(33,34)19-3-1-2-15(10-19)23(27,28)29/h1-11,22,30H,12-13H2
InChIKeySDAIMOXAPRPEPO-UHFFFAOYSA-N
MW562.83 g/mol
LogP6.95
Rot. Bonds6

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

N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 25056295) has the molecular formula C23H17Cl3F3N3O2S and a molecular weight of 562.83 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID25056295
Molecular FormulaC23H17Cl3F3N3O2S
Molecular Weight562.83 g/mol
Exact Mass561.01
IUPAC NameN-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H17Cl3F3N3O2S/c24-16-6-4-14(5-7-16)22-12-18(31-32(22)21-9-8-17(25)11-20(21)26)13-30-35(33,34)19-3-1-2-15(10-19)23(27,28)29/h1-11,22,30H,12-13H2
InChIKeySDAIMOXAPRPEPO-UHFFFAOYSA-N
XLogP6.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.83
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 25056295) is N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SDAIMOXAPRPEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3F3N3O2S/c24-16-6-4-14(5-7-16)22-12-18(31-32(22)21-9-8-17(25)11-20(21)26)13-30-35(33,34)19-3-1-2-15(10-19)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]-3-(trifluoromethyl)benzenesulfonamide?
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 562.83 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25056295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).