4-bromo-N-morpholin-4-ylbenzenesulfonamide

C10H13BrN2O3S — CID 896933

IUPAC4-bromo-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2
InChIKeyMUJJUACHAFOJFQ-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.97
Rot. Bonds3

About 4-bromo-N-morpholin-4-ylbenzenesulfonamide

4-bromo-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 896933) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 4-bromo-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-morpholin-4-ylbenzenesulfonamide
PubChem CID896933
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name4-bromo-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2
InChIKeyMUJJUACHAFOJFQ-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-morpholin-4-ylbenzenesulfonamide 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 4-bromo-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-morpholin-4-ylbenzenesulfonamide (CID 896933) is 4-bromo-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-morpholin-4-ylbenzenesulfonamide is O=S(=O)(NN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is MUJJUACHAFOJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-9-1-3-10(4-2-9)17(14,15)12-13-5-7-16-8-6-13/h1-4,12H,5-8H2.
What are the key properties of 4-bromo-N-morpholin-4-ylbenzenesulfonamide?
4-bromo-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 321.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 896933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).