5-bromo-2-butan-2-ylsulfonylaniline

C10H14BrNO2S — CID 81185112

IUPAC5-bromo-2-butan-2-ylsulfonylaniline
SMILESCCC(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H14BrNO2S/c1-3-7(2)15(13,14)10-5-4-8(11)6-9(10)12/h4-7H,3,12H2,1-2H3
InChIKeyXRQBTAAIDNCJSP-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.60
Rot. Bonds3

About 5-bromo-2-butan-2-ylsulfonylaniline

5-bromo-2-butan-2-ylsulfonylaniline (PubChem CID 81185112) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-2-butan-2-ylsulfonylaniline.

Molecular Properties

Compound Name5-bromo-2-butan-2-ylsulfonylaniline
PubChem CID81185112
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-2-butan-2-ylsulfonylaniline
SMILESCCC(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H14BrNO2S/c1-3-7(2)15(13,14)10-5-4-8(11)6-9(10)12/h4-7H,3,12H2,1-2H3
InChIKeyXRQBTAAIDNCJSP-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-bromo-2-butan-2-ylsulfonylaniline 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-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
4-butan-2-ylsulfonyl-3-fluoroaniline
CID 81191829
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-ylsulfonylaniline?
The IUPAC name of 5-bromo-2-butan-2-ylsulfonylaniline (CID 81185112) is 5-bromo-2-butan-2-ylsulfonylaniline.
What is the SMILES notation for 5-bromo-2-butan-2-ylsulfonylaniline?
The canonical SMILES for 5-bromo-2-butan-2-ylsulfonylaniline is CCC(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 5-bromo-2-butan-2-ylsulfonylaniline?
The InChIKey is XRQBTAAIDNCJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-7(2)15(13,14)10-5-4-8(11)6-9(10)12/h4-7H,3,12H2,1-2H3.
What are the key properties of 5-bromo-2-butan-2-ylsulfonylaniline?
5-bromo-2-butan-2-ylsulfonylaniline has a molecular weight of 292.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-ylsulfonylaniline is sourced from PubChem (CID 81185112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).