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

C16H16ClFN2O3S — CID 1135715

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)3-8-15(11)20(24(2,22)23)10-16(21)19-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOKIRGPJEAWFKSL-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.19
Rot. Bonds5

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

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 1135715) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID1135715
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)3-8-15(11)20(24(2,22)23)10-16(21)19-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyOKIRGPJEAWFKSL-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-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 1135715) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is OKIRGPJEAWFKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)3-8-15(11)20(24(2,22)23)10-16(21)19-14-6-4-13(18)5-7-14/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-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-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1135715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).