2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide

C16H16ClFN2O3S — CID 1288182

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-11-7-8-12(9-13(11)17)20(24(2,22)23)10-16(21)19-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyAEOXIVIKFLAEPR-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (PubChem CID 1288182) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
PubChem CID1288182
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-11-7-8-12(9-13(11)17)20(24(2,22)23)10-16(21)19-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyAEOXIVIKFLAEPR-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide (CID 1288182) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
The InChIKey is AEOXIVIKFLAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-7-8-12(9-13(11)17)20(24(2,22)23)10-16(21)19-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide has a molecular weight of 370.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1288182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).