4-bromo-N,N-dimethylbenzenesulfonamide

C8H10BrNO2S — CID 12818

IUPAC4-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyNQAUNPZZVCXYEJ-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.70
Rot. Bonds2

About 4-bromo-N,N-dimethylbenzenesulfonamide

4-bromo-N,N-dimethylbenzenesulfonamide (PubChem CID 12818) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,N-dimethylbenzenesulfonamide
PubChem CID12818
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyNQAUNPZZVCXYEJ-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N,N-dimethylbenzenesulfonamide 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,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N,N-dimethylbenzenesulfonamide (CID 12818) is 4-bromo-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N,N-dimethylbenzenesulfonamide?
The InChIKey is NQAUNPZZVCXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethylbenzenesulfonamide?
4-bromo-N,N-dimethylbenzenesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 12818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).