N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

C13H18Cl2N2O3S — CID 113063583

IUPACN-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-8-21(19,20)16-6-7-17(10(2)18)11-4-5-12(14)13(15)9-11/h4-5,9,16H,3,6-8H2,1-2H3
InChIKeyWVUGEALWGCUCAS-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.68
Rot. Bonds7

About N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113063583) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113063583
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O3S/c1-3-8-21(19,20)16-6-7-17(10(2)18)11-4-5-12(14)13(15)9-11/h4-5,9,16H,3,6-8H2,1-2H3
InChIKeyWVUGEALWGCUCAS-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113063583) is N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is WVUGEALWGCUCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-3-8-21(19,20)16-6-7-17(10(2)18)11-4-5-12(14)13(15)9-11/h4-5,9,16H,3,6-8H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 353.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113063583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).