4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide

C10H12BrCl2NO2S — CID 47104119

IUPAC4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-10(2,3)14-17(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3
InChIKeyHBAONOQENNZTCO-UHFFFAOYSA-N
MW361.09 g/mol
LogP3.83
Rot. Bonds2

About 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide

4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide (PubChem CID 47104119) has the molecular formula C10H12BrCl2NO2S and a molecular weight of 361.09 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide
PubChem CID47104119
Molecular FormulaC10H12BrCl2NO2S
Molecular Weight361.09 g/mol
Exact Mass358.91
IUPAC Name4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S/c1-10(2,3)14-17(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3
InChIKeyHBAONOQENNZTCO-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.09
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide 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-tert-butyl-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide (CID 47104119) is 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The InChIKey is HBAONOQENNZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S/c1-10(2,3)14-17(15,16)9-7(12)4-6(11)5-8(9)13/h4-5,14H,1-3H3.
What are the key properties of 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide has a molecular weight of 361.09 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 47104119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).