N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C24H18N6O4S — CID 137028501

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14,26,32H,(H2,25,33,34)/b28-27+
InChIKeyQQWLGGWZPPXCPH-BYYHNAKLSA-N
MW486.51 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 137028501) has the molecular formula C24H18N6O4S and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID137028501
Molecular FormulaC24H18N6O4S
Molecular Weight486.51 g/mol
Exact Mass486.11
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14,26,32H,(H2,25,33,34)/b28-27+
InChIKeyQQWLGGWZPPXCPH-BYYHNAKLSA-N
XLogP4.30
TPSA155.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.30
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 137028501) is N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is QQWLGGWZPPXCPH-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-21(15-6-2-1-3-7-15)14-20(29-30)23(31)28-27-22-18-8-4-5-9-19(18)26-24(22)32/h1-14,26,32H,(H2,25,33,34)/b28-27+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 137028501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).