2-(benzenesulfonamido)-5-bromobenzoic acid

C13H10BrNO4S — CID 45465070

IUPAC2-(benzenesulfonamido)-5-bromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10BrNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyRGDKWVPDVVMICI-UHFFFAOYSA-N
MW356.20 g/mol
LogP2.95
Rot. Bonds4

About 2-(benzenesulfonamido)-5-bromobenzoic acid

2-(benzenesulfonamido)-5-bromobenzoic acid (PubChem CID 45465070) has the molecular formula C13H10BrNO4S and a molecular weight of 356.20 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-bromobenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-bromobenzoic acid
PubChem CID45465070
Molecular FormulaC13H10BrNO4S
Molecular Weight356.20 g/mol
Exact Mass354.95
IUPAC Name2-(benzenesulfonamido)-5-bromobenzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H10BrNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyRGDKWVPDVVMICI-UHFFFAOYSA-N
XLogP2.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonamido)-5-bromobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-bromobenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-bromobenzoic acid (CID 45465070) is 2-(benzenesulfonamido)-5-bromobenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-bromobenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-bromobenzoic acid is O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-5-bromobenzoic acid?
The InChIKey is RGDKWVPDVVMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4S/c14-9-6-7-12(11(8-9)13(16)17)15-20(18,19)10-4-2-1-3-5-10/h1-8,15H,(H,16,17).
What are the key properties of 2-(benzenesulfonamido)-5-bromobenzoic acid?
2-(benzenesulfonamido)-5-bromobenzoic acid has a molecular weight of 356.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-bromobenzoic acid is sourced from PubChem (CID 45465070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).