4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide

C23H24BrN5O3S — CID 135370156

IUPAC4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2cc(-c3ccc(Br)cc3)cc(-c3ccc(S(N)(=O)=O)cc3)c2N)CC1
InChIInChI=1S/C23H24BrN5O3S/c24-18-5-1-15(2-6-18)17-13-20(16-3-7-19(8-4-16)33(27,31)32)22(25)21(14-17)28-9-11-29(12-10-28)23(26)30/h1-8,13-14H,9-12,25H2,(H2,26,30)(H2,27,31,32)
InChIKeyZXLHVUSCQIQUQV-UHFFFAOYSA-N
MW530.45 g/mol
LogP3.21
Rot. Bonds4

About 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide

4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide (PubChem CID 135370156) has the molecular formula C23H24BrN5O3S and a molecular weight of 530.45 g/mol. Its IUPAC name is 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide
PubChem CID135370156
Molecular FormulaC23H24BrN5O3S
Molecular Weight530.45 g/mol
Exact Mass529.08
IUPAC Name4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2cc(-c3ccc(Br)cc3)cc(-c3ccc(S(N)(=O)=O)cc3)c2N)CC1
InChIInChI=1S/C23H24BrN5O3S/c24-18-5-1-15(2-6-18)17-13-20(16-3-7-19(8-4-16)33(27,31)32)22(25)21(14-17)28-9-11-29(12-10-28)23(26)30/h1-8,13-14H,9-12,25H2,(H2,26,30)(H2,27,31,32)
InChIKeyZXLHVUSCQIQUQV-UHFFFAOYSA-N
XLogP3.21
TPSA135.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-bromophenyl)-N-phenyl-3-(4-sulfamoylphenyl)benzamide
CID 135370088
4-[6-(4-bromophenyl)-2,4-dioxo-1H-quinazolin-8-yl]benzenesulfonamide
CID 175166957
4-bromobenzenesulfonamide;ethane
CID 143929211
4-(2,4-dibromophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 56510681
4-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzenesulfonamide
CID 4031441
4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
CID 174424491
4-[5-(4-bromophenyl)-6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylic acid
CID 69047075
4-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26534473
4-[3-(4-bromophenyl)-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]benzenesulfonamide
CID 166594897
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide (CID 135370156) is 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide is NC(=O)N1CCN(c2cc(-c3ccc(Br)cc3)cc(-c3ccc(S(N)(=O)=O)cc3)c2N)CC1.
What is the InChIKey of 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZXLHVUSCQIQUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O3S/c24-18-5-1-15(2-6-18)17-13-20(16-3-7-19(8-4-16)33(27,31)32)22(25)21(14-17)28-9-11-29(12-10-28)23(26)30/h1-8,13-14H,9-12,25H2,(H2,26,30)(H2,27,31,32).
What are the key properties of 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide?
4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide has a molecular weight of 530.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-bromophenyl)-3-(4-sulfamoylphenyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 135370156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).