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

C13H11BrN2O3S — CID 103308919

IUPAC4-amino-N-(benzenesulfonyl)-3-bromobenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1Br
InChIInChI=1S/C13H11BrN2O3S/c14-11-8-9(6-7-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17)
InChIKeyDILJWSWITSLJPB-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-N-(benzenesulfonyl)-3-bromobenzamide

4-amino-N-(benzenesulfonyl)-3-bromobenzamide (PubChem CID 103308919) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-amino-N-(benzenesulfonyl)-3-bromobenzamide.

Molecular Properties

Compound Name4-amino-N-(benzenesulfonyl)-3-bromobenzamide
PubChem CID103308919
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name4-amino-N-(benzenesulfonyl)-3-bromobenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1Br
InChIInChI=1S/C13H11BrN2O3S/c14-11-8-9(6-7-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17)
InChIKeyDILJWSWITSLJPB-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(benzenesulfonyl)-3-bromobenzamide?
The IUPAC name of 4-amino-N-(benzenesulfonyl)-3-bromobenzamide (CID 103308919) is 4-amino-N-(benzenesulfonyl)-3-bromobenzamide.
What is the SMILES notation for 4-amino-N-(benzenesulfonyl)-3-bromobenzamide?
The canonical SMILES for 4-amino-N-(benzenesulfonyl)-3-bromobenzamide is Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1Br.
What is the InChIKey of 4-amino-N-(benzenesulfonyl)-3-bromobenzamide?
The InChIKey is DILJWSWITSLJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-11-8-9(6-7-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17).
What are the key properties of 4-amino-N-(benzenesulfonyl)-3-bromobenzamide?
4-amino-N-(benzenesulfonyl)-3-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 4-amino-N-(benzenesulfonyl)-3-bromobenzamide is sourced from PubChem (CID 103308919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).