N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide

C12H16Cl2N2O3S — CID 43654101

IUPACN-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCCCl
InChIInChI=1S/C12H16Cl2N2O3S/c1-16(20(18,19)8-2-7-13)9-12(17)15-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyXOQZDJFNMGJNID-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.17
Rot. Bonds7

About N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide

N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide (PubChem CID 43654101) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide
PubChem CID43654101
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCCCl
InChIInChI=1S/C12H16Cl2N2O3S/c1-16(20(18,19)8-2-7-13)9-12(17)15-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17)
InChIKeyXOQZDJFNMGJNID-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 2535186
3-[(2-anilino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 60950687
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
N-(4-chlorophenyl)-2-[(2,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 2545228
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
N-(4-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 20888599
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 94079433
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide (CID 43654101) is N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CCCCl.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide?
The InChIKey is XOQZDJFNMGJNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-16(20(18,19)8-2-7-13)9-12(17)15-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide?
N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide has a molecular weight of 339.24 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-chloropropylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 43654101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).