2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide

C13H18Cl2N2O3S — CID 113156868

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-16(5-2)13(18)9-17(21(3,19)20)10-6-7-11(14)12(15)8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyPFIRGUMMXCXNMT-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.63
Rot. Bonds6

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide (PubChem CID 113156868) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
PubChem CID113156868
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-16(5-2)13(18)9-17(21(3,19)20)10-6-7-11(14)12(15)8-10/h6-8H,4-5,9H2,1-3H3
InChIKeyPFIRGUMMXCXNMT-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
N,N-diethyl-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154163
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-(3,4-dichlorophenyl)-N-methylsulfonylpropanamide
CID 124927747
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
CID 113156320
2-[(2-chlorophenyl)methyl-[2-(3,4-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-methylbutanamide
CID 132682975

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide (CID 113156868) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide?
The InChIKey is PFIRGUMMXCXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-4-16(5-2)13(18)9-17(21(3,19)20)10-6-7-11(14)12(15)8-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide has a molecular weight of 353.27 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 113156868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).