2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide

C16H15ClF2N2O3S — CID 2210370

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyWAOBCCBUTHNTFO-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.33
Rot. Bonds5

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 2210370) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
PubChem CID2210370
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyWAOBCCBUTHNTFO-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide (CID 2210370) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide is Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is WAOBCCBUTHNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 388.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2210370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).