N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide

C15H12Cl2F2N2O3S — CID 2490308

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2N2O3S/c16-10-5-4-9(11(17)6-10)7-20-14(22)8-21-25(23,24)15-12(18)2-1-3-13(15)19/h1-6,21H,7-8H2,(H,20,22)
InChIKeyFIAYKTDOQBAKDM-UHFFFAOYSA-N
MW409.24 g/mol
LogP2.87
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide (PubChem CID 2490308) has the molecular formula C15H12Cl2F2N2O3S and a molecular weight of 409.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
PubChem CID2490308
Molecular FormulaC15H12Cl2F2N2O3S
Molecular Weight409.24 g/mol
Exact Mass407.99
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1c(F)cccc1F)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2F2N2O3S/c16-10-5-4-9(11(17)6-10)7-20-14(22)8-21-25(23,24)15-12(18)2-1-3-13(15)19/h1-6,21H,7-8H2,(H,20,22)
InChIKeyFIAYKTDOQBAKDM-UHFFFAOYSA-N
XLogP2.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide (CID 2490308) is N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1c(F)cccc1F)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide?
The InChIKey is FIAYKTDOQBAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O3S/c16-10-5-4-9(11(17)6-10)7-20-14(22)8-21-25(23,24)15-12(18)2-1-3-13(15)19/h1-6,21H,7-8H2,(H,20,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide has a molecular weight of 409.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-difluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2490308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).