2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide

C10H13BrN2O3S — CID 81185562

IUPAC2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H13BrN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyFEFUKPVYENQNDC-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.94
Rot. Bonds3

About 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide

2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide (PubChem CID 81185562) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
PubChem CID81185562
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H13BrN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyFEFUKPVYENQNDC-UHFFFAOYSA-N
XLogP0.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide 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-(2-amino-4-bromophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81184759
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
2-amino-4-bromo-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43257152
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
5-bromo-2-methylsulfonylaniline;ethane
CID 145185380
2-(2-amino-4-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81184144

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide (CID 81185562) is 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide is CNC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is FEFUKPVYENQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-6(10(14)13-2)17(15,16)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide?
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 321.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81185562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).