3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol

C21H14Cl2N4O3S — CID 135778253

IUPAC3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccccc2)c(/N=N/c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C21H14Cl2N4O3S/c22-17-12-11-14(13-18(17)23)24-25-20-19(28)21(26-27(20)15-7-3-1-4-8-15)31(29,30)16-9-5-2-6-10-16/h1-13,28H/b25-24+
InChIKeyGTJWMADUKUXNLS-OCOZRVBESA-N
MW473.34 g/mol
LogP6.13
Rot. Bonds5

About 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol

3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol (PubChem CID 135778253) has the molecular formula C21H14Cl2N4O3S and a molecular weight of 473.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol
PubChem CID135778253
Molecular FormulaC21H14Cl2N4O3S
Molecular Weight473.34 g/mol
Exact Mass472.02
IUPAC Name3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccccc2)c(/N=N/c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C21H14Cl2N4O3S/c22-17-12-11-14(13-18(17)23)24-25-20-19(28)21(26-27(20)15-7-3-1-4-8-15)31(29,30)16-9-5-2-6-10-16/h1-13,28H/b25-24+
InChIKeyGTJWMADUKUXNLS-OCOZRVBESA-N
XLogP6.13
TPSA96.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.34
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonyl)-5-chloro-1-(4-fluorophenyl)pyrazol-4-ol
CID 10360689
3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol
CID 10251183
4-[[4-[4-[(3-carboxylato-5-hydroxy-1-phenylpyrazol-4-yl)diazenyl]-2-sulfonatophenyl]-3-sulfonatophenyl]diazenyl]-5-hydroxy-1-phenylpyrazole-3-carboxylate
CID 135542300
2-[(3,4-dichlorophenyl)diazenyl]-4-phenylphenol
CID 5107707
1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene
CID 123363089
4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 137086530
3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide
CID 3687695
3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole
CID 11200858
methyl N'-[4-(benzenesulfonyl)-3-chlorophenyl]-N-cyanocarbamimidothioate
CID 90303092
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol?
The IUPAC name of 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol (CID 135778253) is 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol?
The canonical SMILES for 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol is O=S(=O)(c1ccccc1)c1nn(-c2ccccc2)c(/N=N/c2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol?
The InChIKey is GTJWMADUKUXNLS-OCOZRVBESA-N. The full InChI is InChI=1S/C21H14Cl2N4O3S/c22-17-12-11-14(13-18(17)23)24-25-20-19(28)21(26-27(20)15-7-3-1-4-8-15)31(29,30)16-9-5-2-6-10-16/h1-13,28H/b25-24+.
What are the key properties of 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol?
3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol has a molecular weight of 473.34 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-[(3,4-dichlorophenyl)diazenyl]-1-phenylpyrazol-4-ol is sourced from PubChem (CID 135778253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).