3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide

C12H18BrNO2S — CID 66486092

IUPAC3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Br)c(C)c(S(=O)(=O)NC(C)C)c1C
InChIInChI=1S/C12H18BrNO2S/c1-7(2)14-17(15,16)12-9(4)8(3)6-11(13)10(12)5/h6-7,14H,1-5H3
InChIKeyLBWUPVZQNPWQJS-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.06
Rot. Bonds3

About 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide

3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 66486092) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID66486092
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(Br)c(C)c(S(=O)(=O)NC(C)C)c1C
InChIInChI=1S/C12H18BrNO2S/c1-7(2)14-17(15,16)12-9(4)8(3)6-11(13)10(12)5/h6-7,14H,1-5H3
InChIKeyLBWUPVZQNPWQJS-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide 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

2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
(2S)-3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid;hydrate
CID 132776903
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
[3,5-dimethyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid
CID 91759493
2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 16805338
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 110758505
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide (CID 66486092) is 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(Br)c(C)c(S(=O)(=O)NC(C)C)c1C.
What is the InChIKey of 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LBWUPVZQNPWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-7(2)14-17(15,16)12-9(4)8(3)6-11(13)10(12)5/h6-7,14H,1-5H3.
What are the key properties of 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 66486092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).