2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide

C25H20BrN3O3S — CID 135370088

IUPAC2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide
SMILESNc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Br)cc2)cc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H20BrN3O3S/c26-19-10-6-16(7-11-19)18-14-22(17-8-12-21(13-9-17)33(28,31)32)24(27)23(15-18)25(30)29-20-4-2-1-3-5-20/h1-15H,27H2,(H,29,30)(H2,28,31,32)
InChIKeyIEGKLOPSCHHVBF-UHFFFAOYSA-N
MW522.42 g/mol
LogP5.26
Rot. Bonds5

About 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide

2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide (PubChem CID 135370088) has the molecular formula C25H20BrN3O3S and a molecular weight of 522.42 g/mol. Its IUPAC name is 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide
PubChem CID135370088
Molecular FormulaC25H20BrN3O3S
Molecular Weight522.42 g/mol
Exact Mass521.04
IUPAC Name2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide
SMILESNc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Br)cc2)cc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H20BrN3O3S/c26-19-10-6-16(7-11-19)18-14-22(17-8-12-21(13-9-17)33(28,31)32)24(27)23(15-18)25(30)29-20-4-2-1-3-5-20/h1-15H,27H2,(H,29,30)(H2,28,31,32)
InChIKeyIEGKLOPSCHHVBF-UHFFFAOYSA-N
XLogP5.26
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.42
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide
CID 135370156
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
CID 59587869
CID 59587869
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide (CID 135370088) is 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide is Nc1c(C(=O)Nc2ccccc2)cc(-c2ccc(Br)cc2)cc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide?
The InChIKey is IEGKLOPSCHHVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O3S/c26-19-10-6-16(7-11-19)18-14-22(17-8-12-21(13-9-17)33(28,31)32)24(27)23(15-18)25(30)29-20-4-2-1-3-5-20/h1-15H,27H2,(H,29,30)(H2,28,31,32).
What are the key properties of 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide?
2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide has a molecular weight of 522.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 135370088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).