2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide

C11H15ClN2O3S — CID 3139153

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-3-13-11(15)8-14(18(2,16)17)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyHJYQXLUMPNPRNJ-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.24
Rot. Bonds5

About 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide

2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide (PubChem CID 3139153) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
PubChem CID3139153
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-3-13-11(15)8-14(18(2,16)17)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyHJYQXLUMPNPRNJ-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
2-(3-chloro-N-methylsulfonylanilino)-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]acetamide
CID 97078191
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 95161760
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-(3-chloro-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30219674
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895447
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide (CID 3139153) is 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide is CCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
The InChIKey is HJYQXLUMPNPRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-13-11(15)8-14(18(2,16)17)10-6-4-5-9(12)7-10/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide has a molecular weight of 290.77 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide is sourced from PubChem (CID 3139153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).