2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide

C11H15ClN2O3S — CID 50895476

IUPAC2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
SMILESCCS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1C
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14(7-11(13)15)10-6-4-5-9(12)8(10)2/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyFJUJYDPNOMUMMN-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.29
Rot. Bonds5

About 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide

2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide (PubChem CID 50895476) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
PubChem CID50895476
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
SMILESCCS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1C
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14(7-11(13)15)10-6-4-5-9(12)8(10)2/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyFJUJYDPNOMUMMN-UHFFFAOYSA-N
XLogP1.29
TPSA80.47 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(2-bromo-N-ethylsulfonylanilino)acetamide
CID 50890360
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide?
The IUPAC name of 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide (CID 50895476) is 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide?
The canonical SMILES for 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide is CCS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide?
The InChIKey is FJUJYDPNOMUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14(7-11(13)15)10-6-4-5-9(12)8(10)2/h4-6H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide?
2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide has a molecular weight of 290.77 g/mol, XLogP of 1.29, 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-ethylsulfonyl-2-methylanilino)acetamide is sourced from PubChem (CID 50895476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).