N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide

C18H16N2O5S2 — CID 10501408

IUPACN-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S2/c1-13(21)19-26(22,23)16-11-9-15(10-12-16)20-27(24,25)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,1H3,(H,19,21)
InChIKeyDZUXBBSOXGGPDY-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.47
Rot. Bonds5

About N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide

N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide (PubChem CID 10501408) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
PubChem CID10501408
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC NameN-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O5S2/c1-13(21)19-26(22,23)16-11-9-15(10-12-16)20-27(24,25)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,1H3,(H,19,21)
InChIKeyDZUXBBSOXGGPDY-UHFFFAOYSA-N
XLogP2.47
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide (CID 10501408) is N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide?
The InChIKey is DZUXBBSOXGGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c1-13(21)19-26(22,23)16-11-9-15(10-12-16)20-27(24,25)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,1H3,(H,19,21).
What are the key properties of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide?
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide has a molecular weight of 404.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide is sourced from PubChem (CID 10501408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).