3-amino-N-(benzenesulfonyl)-5-bromobenzamide

C13H11BrN2O3S — CID 103308875

IUPAC3-amino-N-(benzenesulfonyl)-5-bromobenzamide
SMILESNc1cc(Br)cc(C(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O3S/c14-10-6-9(7-11(15)8-10)13(17)16-20(18,19)12-4-2-1-3-5-12/h1-8H,15H2,(H,16,17)
InChIKeySTQOJWUBTUUGAC-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-N-(benzenesulfonyl)-5-bromobenzamide

3-amino-N-(benzenesulfonyl)-5-bromobenzamide (PubChem CID 103308875) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 3-amino-N-(benzenesulfonyl)-5-bromobenzamide.

Molecular Properties

Compound Name3-amino-N-(benzenesulfonyl)-5-bromobenzamide
PubChem CID103308875
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name3-amino-N-(benzenesulfonyl)-5-bromobenzamide
SMILESNc1cc(Br)cc(C(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11BrN2O3S/c14-10-6-9(7-11(15)8-10)13(17)16-20(18,19)12-4-2-1-3-5-12/h1-8H,15H2,(H,16,17)
InChIKeySTQOJWUBTUUGAC-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
4-amino-N-(benzenesulfonyl)-3-bromobenzamide
CID 103308919
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
(E)-N'-(benzenesulfonyl)but-2-enediamide
CID 22610827
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(benzenesulfonyl)-5-bromobenzamide?
The IUPAC name of 3-amino-N-(benzenesulfonyl)-5-bromobenzamide (CID 103308875) is 3-amino-N-(benzenesulfonyl)-5-bromobenzamide.
What is the SMILES notation for 3-amino-N-(benzenesulfonyl)-5-bromobenzamide?
The canonical SMILES for 3-amino-N-(benzenesulfonyl)-5-bromobenzamide is Nc1cc(Br)cc(C(=O)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-(benzenesulfonyl)-5-bromobenzamide?
The InChIKey is STQOJWUBTUUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-10-6-9(7-11(15)8-10)13(17)16-20(18,19)12-4-2-1-3-5-12/h1-8H,15H2,(H,16,17).
What are the key properties of 3-amino-N-(benzenesulfonyl)-5-bromobenzamide?
3-amino-N-(benzenesulfonyl)-5-bromobenzamide has a molecular weight of 355.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(benzenesulfonyl)-5-bromobenzamide is sourced from PubChem (CID 103308875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).