N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide

C12H16Cl2N2O3S — CID 43444834

IUPACN-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-2-4-20(18,19)5-3-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyXDNQWNXFSKDEON-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.73
Rot. Bonds6

About N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide

N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide (PubChem CID 43444834) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
PubChem CID43444834
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-2-4-20(18,19)5-3-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyXDNQWNXFSKDEON-UHFFFAOYSA-N
XLogP2.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-4-pentan-2-yloxybutanamide
CID 102980777
N-(4-amino-2,6-dichlorophenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 62861624
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide (CID 43444834) is N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide is CCCS(=O)(=O)CCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide?
The InChIKey is XDNQWNXFSKDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-2-4-20(18,19)5-3-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide has a molecular weight of 339.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide is sourced from PubChem (CID 43444834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).