2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide

C11H16BrN3O3S — CID 115328810

IUPAC2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H16BrN3O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-9(12)10(13)6-8/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyWCRLIFRMFMLZNM-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.83
Rot. Bonds5

About 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide

2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 115328810) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID115328810
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C11H16BrN3O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-9(12)10(13)6-8/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyWCRLIFRMFMLZNM-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide 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-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
CID 82846047
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 107650371
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide (CID 115328810) is 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is WCRLIFRMFMLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-9(12)10(13)6-8/h4-7,15H,3,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide?
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 350.24 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 115328810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).