2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide

C12H14Cl2N2O3S — CID 113156897

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-6-15-12(17)8-16(20(2,18)19)11-7-9(13)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,15,17)
InChIKeyKHMUSIAKIOHNQO-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.06
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide (PubChem CID 113156897) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
PubChem CID113156897
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H14Cl2N2O3S/c1-3-6-15-12(17)8-16(20(2,18)19)11-7-9(13)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,15,17)
InChIKeyKHMUSIAKIOHNQO-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide (CID 113156897) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
The InChIKey is KHMUSIAKIOHNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-3-6-15-12(17)8-16(20(2,18)19)11-7-9(13)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H,15,17).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide has a molecular weight of 337.23 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113156897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).