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

C24H17BrN6O4S — CID 137028503

IUPACN-[(5-bromo-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]c4ccc(Br)cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13,27,33H,(H2,26,34,35)/b29-28+
InChIKeyWIQXXDVOHGSRHA-ZQHSETAFSA-N
MW565.41 g/mol
LogP5.06
Rot. Bonds5

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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 137028503) has the molecular formula C24H17BrN6O4S and a molecular weight of 565.41 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID137028503
Molecular FormulaC24H17BrN6O4S
Molecular Weight565.41 g/mol
Exact Mass564.02
IUPAC NameN-[(5-bromo-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]c4ccc(Br)cc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13,27,33H,(H2,26,34,35)/b29-28+
InChIKeyWIQXXDVOHGSRHA-ZQHSETAFSA-N
XLogP5.06
TPSA155.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.41
LogP ≤ 55.06
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-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 137028503) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-bromo-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]c4ccc(Br)cc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is WIQXXDVOHGSRHA-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13,27,33H,(H2,26,34,35)/b29-28+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 565.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 137028503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).