N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide

C16H15Cl2FN2O3S — CID 4254515

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10(21-25(23,24)14-6-4-13(19)5-7-14)16(22)20-9-11-2-3-12(17)8-15(11)18/h2-8,10,21H,9H2,1H3,(H,20,22)
InChIKeyQVGVVVKTDBIRIK-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.12
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide

N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 4254515) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID4254515
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10(21-25(23,24)14-6-4-13(19)5-7-14)16(22)20-9-11-2-3-12(17)8-15(11)18/h2-8,10,21H,9H2,1H3,(H,20,22)
InChIKeyQVGVVVKTDBIRIK-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.12
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-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (CID 4254515) is N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is QVGVVVKTDBIRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-10(21-25(23,24)14-6-4-13(19)5-7-14)16(22)20-9-11-2-3-12(17)8-15(11)18/h2-8,10,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 405.28 g/mol, XLogP of 3.12, 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-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4254515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).