5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide

C24H22Cl2N4O3S — CID 11569861

IUPAC5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(O)(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H22Cl2N4O3S/c1-2-27-23(29-34(32,33)21-14-12-20(26)13-15-21)30-16-24(31,18-6-4-3-5-7-18)22(28-30)17-8-10-19(25)11-9-17/h3-15,31H,2,16H2,1H3,(H,27,29)
InChIKeyYSOLAZQGLFVSLS-UHFFFAOYSA-N
MW517.44 g/mol
LogP4.26
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide

5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide (PubChem CID 11569861) has the molecular formula C24H22Cl2N4O3S and a molecular weight of 517.44 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide
PubChem CID11569861
Molecular FormulaC24H22Cl2N4O3S
Molecular Weight517.44 g/mol
Exact Mass516.08
IUPAC Name5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide
SMILESCC/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(O)(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H22Cl2N4O3S/c1-2-27-23(29-34(32,33)21-14-12-20(26)13-15-21)30-16-24(31,18-6-4-3-5-7-18)22(28-30)17-8-10-19(25)11-9-17/h3-15,31H,2,16H2,1H3,(H,27,29)
InChIKeyYSOLAZQGLFVSLS-UHFFFAOYSA-N
XLogP4.26
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonyl-4-hydroxy-5-[4-(methanesulfonamido)phenyl]-N'-methyl-4-phenyl-3H-pyrazole-2-carboximidamide
CID 46831253
2-[[[(3-chlorophenyl)sulfonylamino]-[4-hydroxy-5-(4-methoxyphenyl)-4-phenyl-3H-pyrazol-2-yl]methylidene]amino]acetic acid
CID 46834424
N'-(4-chlorophenyl)sulfonyl-4-hydroxy-4-phenyl-5-[4-(tetrazol-2-yl)phenyl]-3H-pyrazole-2-carboximidamide
CID 25176973
ethyl 2-[[4-[2-[(E)-N'-(4-chlorophenyl)sulfonylcarbamimidoyl]-4-hydroxy-4-phenyl-3H-pyrazol-5-yl]phenoxy]methyl]benzoate
CID 25177040
(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-N'-(2-sulfamoylpropyl)-3,4-dihydropyrazole-2-carboximidamide
CID 170164544
2-[[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]acetamide
CID 42607230
2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]acetamide
CID 66553203
(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 11363773
N-(4-aminophenyl)sulfonyl-8-benzyl-N'-ethyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 58158703
ethyl 2-[[[(4-chlorophenyl)sulfonylamino]-(4,5-diphenyl-3,4-dihydropyrazol-2-yl)methylidene]amino]acetate
CID 46834420
8-benzyl-N'-ethyl-N-[4-(methylamino)phenyl]sulfonyl-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
CID 58158681
N-(3-chlorophenyl)sulfonyl-N'-ethyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339487

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide (CID 11569861) is 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide is CC/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)N1CC(O)(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide?
The InChIKey is YSOLAZQGLFVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3S/c1-2-27-23(29-34(32,33)21-14-12-20(26)13-15-21)30-16-24(31,18-6-4-3-5-7-18)22(28-30)17-8-10-19(25)11-9-17/h3-15,31H,2,16H2,1H3,(H,27,29).
What are the key properties of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide?
5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide has a molecular weight of 517.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-ethyl-4-hydroxy-4-phenyl-3H-pyrazole-2-carboximidamide is sourced from PubChem (CID 11569861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).