N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C18H19FN2O5S2 — CID 4965033

IUPACN-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O5S2/c19-14-6-8-17(9-7-14)28(25,26)21(16-4-2-1-3-5-16)12-18(22)20-15-10-11-27(23,24)13-15/h1-9,15H,10-13H2,(H,20,22)
InChIKeyHAKNZSWFCODFKD-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.32
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 4965033) has the molecular formula C18H19FN2O5S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID4965033
Molecular FormulaC18H19FN2O5S2
Molecular Weight426.49 g/mol
Exact Mass426.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O5S2/c19-14-6-8-17(9-7-14)28(25,26)21(16-4-2-1-3-5-16)12-18(22)20-15-10-11-27(23,24)13-15/h1-9,15H,10-13H2,(H,20,22)
InChIKeyHAKNZSWFCODFKD-UHFFFAOYSA-N
XLogP1.32
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 4965033) is N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is HAKNZSWFCODFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S2/c19-14-6-8-17(9-7-14)28(25,26)21(16-4-2-1-3-5-16)12-18(22)20-15-10-11-27(23,24)13-15/h1-9,15H,10-13H2,(H,20,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 426.49 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 4965033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).