N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide

C13H15Cl2NO3S — CID 47461248

IUPACN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-2-20(18,19)8-12(17)16-13(5-6-13)9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyXLPPJKZRBMULFF-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide

N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide (PubChem CID 47461248) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide
PubChem CID47461248
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC NameN-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO3S/c1-2-20(18,19)8-12(17)16-13(5-6-13)9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyXLPPJKZRBMULFF-UHFFFAOYSA-N
XLogP2.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4876743
N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-(methanesulfonamido)acetamide
CID 47463830
N-[1-(3-chlorophenyl)cyclopropyl]-2-methylsulfanylacetamide
CID 72003902
2-[2-[[1-(3-Chlorophenyl)cyclopropyl]amino]-2-oxoethyl]sulfanylacetamide
CID 72128391
2-[(3,4-dichlorophenyl)methyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 17496894
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-propylsulfonylpropanamide
CID 49366845
N-[2-(3-chlorophenyl)propan-2-yl]-2-methylsulfanylacetamide
CID 56793862
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylsulfonylpropanamide
CID 72133052
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-2-methylsulfonylacetamide
CID 13279933
2-(4-Chlorophenyl)-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 22342315
(4S)-N-(1-cyclopropylcyclopentyl)-4-(3,4-dichlorophenyl)-4-(methylsulfonylmethyl)hept-6-enamide
CID 59961914
2-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 2555248

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide (CID 47461248) is N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide?
The InChIKey is XLPPJKZRBMULFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-2-20(18,19)8-12(17)16-13(5-6-13)9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide?
N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide has a molecular weight of 336.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 47461248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).