4-amino-3-bromo-N,N-dimethylbenzenesulfonamide

C8H11BrN2O2S — CID 15555498

IUPAC4-amino-3-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3
InChIKeyGQWVGPGISLJBCL-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide

4-amino-3-bromo-N,N-dimethylbenzenesulfonamide (PubChem CID 15555498) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N,N-dimethylbenzenesulfonamide
PubChem CID15555498
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name4-amino-3-bromo-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3
InChIKeyGQWVGPGISLJBCL-UHFFFAOYSA-N
XLogP1.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-bromo-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide (CID 15555498) is 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide?
The InChIKey is GQWVGPGISLJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3.
What are the key properties of 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide?
4-amino-3-bromo-N,N-dimethylbenzenesulfonamide has a molecular weight of 279.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 15555498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).