4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C26H20ClN7O4S — CID 58302636

IUPAC4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C26H20ClN7O4S/c1-17-24(26(36)34(31-17)25(35)18-7-9-19(27)10-8-18)30-29-20-11-13-22(14-12-20)39(37,38)32-23-15-16-28-33(23)21-5-3-2-4-6-21/h2-16,24,32H,1H3/b30-29+
InChIKeySCORKPXOIXGFEE-QVIHXGFCSA-N
MW562.01 g/mol
LogP4.84
Rot. Bonds7

About 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 58302636) has the molecular formula C26H20ClN7O4S and a molecular weight of 562.01 g/mol. Its IUPAC name is 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID58302636
Molecular FormulaC26H20ClN7O4S
Molecular Weight562.01 g/mol
Exact Mass561.10
IUPAC Name4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C26H20ClN7O4S/c1-17-24(26(36)34(31-17)25(35)18-7-9-19(27)10-8-18)30-29-20-11-13-22(14-12-20)39(37,38)32-23-15-16-28-33(23)21-5-3-2-4-6-21/h2-16,24,32H,1H3/b30-29+
InChIKeySCORKPXOIXGFEE-QVIHXGFCSA-N
XLogP4.84
TPSA138.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.01
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide
CID 335987
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]benzamide
CID 9609239
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 16335821
4-[6-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]benzenesulfonamide
CID 145958478
4-(3-oxo-1,2-benzothiazol-2-yl)-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 10647145
5-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 42612023
4-((1-(4-chlorobenzoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-N-(pyridin-2-yl)benzenesulfonamide
CID 335986
3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 7996280
4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 8005262
3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 7996282
N-[4-(acetylaminosulfonyl)phenyl]-5-(4-chloro-phenyl)-1-phenylpyrazole-3-carboxamide
CID 129770448
4-[5-Amino-4-[[5-amino-3-(4-chlorophenyl)-1h-pyrazol-1-yl]carbonyl]-1h-pyrazol-1-yl]benzenesulfonamide
CID 129843073

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 58302636) is 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SCORKPXOIXGFEE-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H20ClN7O4S/c1-17-24(26(36)34(31-17)25(35)18-7-9-19(27)10-8-18)30-29-20-11-13-22(14-12-20)39(37,38)32-23-15-16-28-33(23)21-5-3-2-4-6-21/h2-16,24,32H,1H3/b30-29+.
What are the key properties of 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 562.01 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 58302636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).