N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide

C23H18ClN3O5S — CID 135585511

IUPACN-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)cc2-c2cc(O)ccc2O)cc1
InChIInChI=1S/C23H18ClN3O5S/c1-14(28)26-33(31,32)19-9-6-17(7-10-19)27-22(20-12-18(29)8-11-23(20)30)13-21(25-27)15-2-4-16(24)5-3-15/h2-13,29-30H,1H3,(H,26,28)
InChIKeyLRCVMRQXAZXSMK-UHFFFAOYSA-N
MW483.93 g/mol
LogP4.10
Rot. Bonds5

About N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide

N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide (PubChem CID 135585511) has the molecular formula C23H18ClN3O5S and a molecular weight of 483.93 g/mol. Its IUPAC name is N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide
PubChem CID135585511
Molecular FormulaC23H18ClN3O5S
Molecular Weight483.93 g/mol
Exact Mass483.07
IUPAC NameN-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)cc2-c2cc(O)ccc2O)cc1
InChIInChI=1S/C23H18ClN3O5S/c1-14(28)26-33(31,32)19-9-6-17(7-10-19)27-22(20-12-18(29)8-11-23(20)30)13-21(25-27)15-2-4-16(24)5-3-15/h2-13,29-30H,1H3,(H,26,28)
InChIKeyLRCVMRQXAZXSMK-UHFFFAOYSA-N
XLogP4.10
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 70280423
4-[3-(4-chlorophenyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 54306976
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009164
3-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-7-hydroxychromen-4-one
CID 25023617
N-[4-[[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]phenyl]sulfonylacetamide
CID 59716845
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996
2-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)-1H-pyrazol-3-one
CID 54508505
N-(3-hydroxyphenyl)sulfonylacetamide
CID 59267686
4-[5-[4-(hydroxymethyl)phenyl]-3-(2-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)pyrazol-1-yl]benzenesulfonamide;4-[3-(2-hydroxyphenyl)-5-[4-(methylaminomethyl)phenyl]pyrazol-1-yl]benzenesulfonamide;4-[3-(4-hydroxyphenyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 159572570
1-cyclohexyl-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]sulfonylurea
CID 134111037

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide (CID 135585511) is N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)cc2-c2cc(O)ccc2O)cc1.
What is the InChIKey of N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
The InChIKey is LRCVMRQXAZXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5S/c1-14(28)26-33(31,32)19-9-6-17(7-10-19)27-22(20-12-18(29)8-11-23(20)30)13-21(25-27)15-2-4-16(24)5-3-15/h2-13,29-30H,1H3,(H,26,28).
What are the key properties of N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide?
N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide has a molecular weight of 483.93 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 135585511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).