N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide

C11H14Cl2N2O3S — CID 113071916

IUPACN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O3S/c1-8(16)14-5-6-15(19(2,17)18)9-3-4-10(12)11(13)7-9/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyFURGEROAJAWIKF-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide

N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide (PubChem CID 113071916) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
PubChem CID113071916
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC NameN-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
SMILESCC(=O)NCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O3S/c1-8(16)14-5-6-15(19(2,17)18)9-3-4-10(12)11(13)7-9/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyFURGEROAJAWIKF-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071927
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113070154
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
CID 113071915
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide (CID 113071916) is N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide is CC(=O)NCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide?
The InChIKey is FURGEROAJAWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-8(16)14-5-6-15(19(2,17)18)9-3-4-10(12)11(13)7-9/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide?
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide has a molecular weight of 325.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide is sourced from PubChem (CID 113071916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).