N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide

C16H15F2NO4S — CID 10247601

IUPACN-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide
SMILESCC(=O)c1cc(Oc2ccc(F)cc2F)c(NS(C)(=O)=O)cc1C
InChIInChI=1S/C16H15F2NO4S/c1-9-6-14(19-24(3,21)22)16(8-12(9)10(2)20)23-15-5-4-11(17)7-13(15)18/h4-8,19H,1-3H3
InChIKeyICOSTQUKAUIKNG-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.64
Rot. Bonds5

About N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide

N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide (PubChem CID 10247601) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide
PubChem CID10247601
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC NameN-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide
SMILESCC(=O)c1cc(Oc2ccc(F)cc2F)c(NS(C)(=O)=O)cc1C
InChIInChI=1S/C16H15F2NO4S/c1-9-6-14(19-24(3,21)22)16(8-12(9)10(2)20)23-15-5-4-11(17)7-13(15)18/h4-8,19H,1-3H3
InChIKeyICOSTQUKAUIKNG-UHFFFAOYSA-N
XLogP3.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Flosulide
CID 71246
FK 3311
CID 164009
N-[6-(4-Methylsulfanyl-phenoxy)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10570709
N-(6-Cyclohexyloxy-1-oxo-indan-5-yl)-methanesulfonamide
CID 10639657
N-(6-Cyclopentyloxy-1-oxo-indan-5-yl)-methanesulfonamide
CID 10662676
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 53547726
N-(4-acetyl-2-butoxyphenyl)methanesulfonamide
CID 57381780
N-(4-acetyl-2-pentoxyphenyl)methanesulfonamide
CID 57381998
N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide
CID 57381999
N-(4-acetyl-2-cyclohexyloxyphenyl)methanesulfonamide
CID 57382000
N-[6-(4-Methanesulfonyl-phenoxy)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10763244
N-[1-Oxo-6-(tetrahydro-pyran-4-yloxy)-indan-5-yl]-methanesulfonamide
CID 15192150

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide (CID 10247601) is N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide is CC(=O)c1cc(Oc2ccc(F)cc2F)c(NS(C)(=O)=O)cc1C.
What is the InChIKey of N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide?
The InChIKey is ICOSTQUKAUIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-9-6-14(19-24(3,21)22)16(8-12(9)10(2)20)23-15-5-4-11(17)7-13(15)18/h4-8,19H,1-3H3.
What are the key properties of N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide?
N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide has a molecular weight of 355.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide is sourced from PubChem (CID 10247601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).