2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide

C16H16Cl2N2O3S — CID 71456112

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2N2O3S/c1-11(16(21)19-13-7-5-6-12(17)10-13)20(24(2,22)23)15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21)
InChIKeyZPCRJPDDEZIKRU-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.79
Rot. Bonds5

About 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide

2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide (PubChem CID 71456112) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide
PubChem CID71456112
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2N2O3S/c1-11(16(21)19-13-7-5-6-12(17)10-13)20(24(2,22)23)15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21)
InChIKeyZPCRJPDDEZIKRU-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide (CID 71456112) is 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide is CC(C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide?
The InChIKey is ZPCRJPDDEZIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-11(16(21)19-13-7-5-6-12(17)10-13)20(24(2,22)23)15-9-4-3-8-14(15)18/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide has a molecular weight of 387.29 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 71456112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).