2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C16H16Cl2N2O3S — CID 1316245

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-3-5-12(6-4-11)19-16(21)10-20(24(2,22)23)13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOUHKSNDYTHFGLP-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.71
Rot. Bonds5

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 1316245) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID1316245
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-11-3-5-12(6-4-11)19-16(21)10-20(24(2,22)23)13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOUHKSNDYTHFGLP-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 1316245) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is OUHKSNDYTHFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-11-3-5-12(6-4-11)19-16(21)10-20(24(2,22)23)13-7-8-14(17)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 387.29 g/mol, XLogP of 3.71, 5 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 1316245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).