3-bromo-N,N-dimethylbenzenesulfonamide

C8H10BrNO2S — CID 7129845

IUPAC3-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyRHBJVOGENJVLGT-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.70
Rot. Bonds2

About 3-bromo-N,N-dimethylbenzenesulfonamide

3-bromo-N,N-dimethylbenzenesulfonamide (PubChem CID 7129845) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 3-bromo-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N,N-dimethylbenzenesulfonamide
PubChem CID7129845
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name3-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyRHBJVOGENJVLGT-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-bromo-N,N-dimethylbenzenesulfonamide (CID 7129845) is 3-bromo-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N,N-dimethylbenzenesulfonamide?
The InChIKey is RHBJVOGENJVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of 3-bromo-N,N-dimethylbenzenesulfonamide?
3-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 3-bromo-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 7129845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).