N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide

C12H14FNO3S — CID 3148572

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c1-14(11-6-7-18(16,17)8-11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyMLVCZBHYNQDGEM-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.08
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide

N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide (PubChem CID 3148572) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
PubChem CID3148572
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c1-14(11-6-7-18(16,17)8-11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyMLVCZBHYNQDGEM-UHFFFAOYSA-N
XLogP1.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide (CID 3148572) is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is MLVCZBHYNQDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-14(11-6-7-18(16,17)8-11)12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide?
N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 271.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 3148572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).