2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide

C10H15BrN2O2S — CID 43257152

IUPAC2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O2S/c1-7(2)13(3)16(14,15)10-5-4-8(11)6-9(10)12/h4-7H,12H2,1-3H3
InChIKeyZYXYLLIMONLSIT-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide

2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43257152) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43257152
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O2S/c1-7(2)13(3)16(14,15)10-5-4-8(11)6-9(10)12/h4-7H,12H2,1-3H3
InChIKeyZYXYLLIMONLSIT-UHFFFAOYSA-N
XLogP2.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-methyl-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-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
2-amino-N-benzyl-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 113226086
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 43257152) is 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZYXYLLIMONLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7(2)13(3)16(14,15)10-5-4-8(11)6-9(10)12/h4-7H,12H2,1-3H3.
What are the key properties of 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide?
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43257152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).