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

C10H12Cl2N2O3S — CID 806054

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H12Cl2N2O3S/c1-13-10(15)6-14(18(2,16)17)7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyASDKSLYONSQEPK-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.51
Rot. Bonds4

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

2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 806054) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID806054
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H12Cl2N2O3S/c1-13-10(15)6-14(18(2,16)17)7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyASDKSLYONSQEPK-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-(3,4-dichloro-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 113156868
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312870
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126138647
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide (CID 806054) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is ASDKSLYONSQEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-13-10(15)6-14(18(2,16)17)7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 311.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).