4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide

C13H12BrN3O3S — CID 43711286

IUPAC4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1
InChIInChI=1S/C13H12BrN3O3S/c14-11-7-10(21(16,19)20)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyWSGUASUPOPCTGE-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.93
Rot. Bonds3

About 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide

4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide (PubChem CID 43711286) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
PubChem CID43711286
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1
InChIInChI=1S/C13H12BrN3O3S/c14-11-7-10(21(16,19)20)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyWSGUASUPOPCTGE-UHFFFAOYSA-N
XLogP1.93
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.93
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-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
4-chloro-N-(2-chloro-4-sulfamoylphenyl)benzamide
CID 43134088
N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
CID 104786050
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224
N-(2-bromo-4-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 61128605
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide (CID 43711286) is 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)cc1.
What is the InChIKey of 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide?
The InChIKey is WSGUASUPOPCTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c14-11-7-10(21(16,19)20)5-6-12(11)17-13(18)8-1-3-9(15)4-2-8/h1-7H,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide?
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide has a molecular weight of 370.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 43711286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).