N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide

C12H16Cl2N2O3S — CID 47378185

IUPACN-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-4-20(18,19)7(2)12(17)16-8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyCZNSBWLVRNNHOI-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.73
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide

N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide (PubChem CID 47378185) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
PubChem CID47378185
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)C(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-4-20(18,19)7(2)12(17)16-8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyCZNSBWLVRNNHOI-UHFFFAOYSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide 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-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366
N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide
CID 46665139
(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
CID 95047950
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
5-acetamido-2-amino-3-chlorobenzenesulfonic acid
CID 101429249

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide (CID 47378185) is N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide is CCCS(=O)(=O)C(C)C(=O)Nc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide?
The InChIKey is CZNSBWLVRNNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-3-4-20(18,19)7(2)12(17)16-8-5-9(13)11(15)10(14)6-8/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide?
N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide has a molecular weight of 339.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-propylsulfonylpropanamide is sourced from PubChem (CID 47378185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).