4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide

C16H17Br2NO2S — CID 22773581

IUPAC4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2S/c1-3-11(2)12-4-7-14(8-5-12)22(20,21)19-16-9-6-13(17)10-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyFWCANPFEOFEGQW-UHFFFAOYSA-N
MW447.19 g/mol
LogP5.53
Rot. Bonds5

About 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide

4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide (PubChem CID 22773581) has the molecular formula C16H17Br2NO2S and a molecular weight of 447.19 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
PubChem CID22773581
Molecular FormulaC16H17Br2NO2S
Molecular Weight447.19 g/mol
Exact Mass444.93
IUPAC Name4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2S/c1-3-11(2)12-4-7-14(8-5-12)22(20,21)19-16-9-6-13(17)10-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyFWCANPFEOFEGQW-UHFFFAOYSA-N
XLogP5.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.19
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide (CID 22773581) is 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide?
The InChIKey is FWCANPFEOFEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2S/c1-3-11(2)12-4-7-14(8-5-12)22(20,21)19-16-9-6-13(17)10-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide?
4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide has a molecular weight of 447.19 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2,4-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 22773581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).