2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide

C18H13F3N2O3S — CID 2121637

IUPAC2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O3S/c19-14-7-8-15(18(21)17(14)20)23-16(24)10-22-27(25,26)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,22H,10H2,(H,23,24)
InChIKeyQJCREJGJNTUEKM-UHFFFAOYSA-N
MW394.37 g/mol
LogP3.17
Rot. Bonds5

About 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide

2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2121637) has the molecular formula C18H13F3N2O3S and a molecular weight of 394.37 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2121637
Molecular FormulaC18H13F3N2O3S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC Name2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H13F3N2O3S/c19-14-7-8-15(18(21)17(14)20)23-16(24)10-22-27(25,26)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,22H,10H2,(H,23,24)
InChIKeyQJCREJGJNTUEKM-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide (CID 2121637) is 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QJCREJGJNTUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S/c19-14-7-8-15(18(21)17(14)20)23-16(24)10-22-27(25,26)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,22H,10H2,(H,23,24).
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 394.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2121637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).