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

C13H20BrN3O3S — CID 115597824

IUPAC2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)9(3)16-21(19,20)10-6-7-12(15)11(14)8-10/h6-9,16H,4-5,15H2,1-3H3
InChIKeyXXRVYVXKNJWWNK-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.57
Rot. Bonds6

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

2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide (PubChem CID 115597824) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
PubChem CID115597824
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC Name2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)9(3)16-21(19,20)10-6-7-12(15)11(14)8-10/h6-9,16H,4-5,15H2,1-3H3
InChIKeyXXRVYVXKNJWWNK-UHFFFAOYSA-N
XLogP1.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide 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-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
CID 50740584
4-amino-3-bromo-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65309900
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
2-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103113314
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
1-(4-amino-3-bromophenyl)sulfonyl-3-ethylurea
CID 116645966
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide (CID 115597824) is 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide?
The InChIKey is XXRVYVXKNJWWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-4-17(5-2)13(18)9(3)16-21(19,20)10-6-7-12(15)11(14)8-10/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide?
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide has a molecular weight of 378.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 115597824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).