3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide

C18H19FN2O5S2 — CID 90075154

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)ccc1F
InChIInChI=1S/C18H19FN2O5S2/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)28(25,26)21-15-7-8-27(23,24)11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyUYNPUTLYNMASOZ-UHFFFAOYSA-N
MW426.49 g/mol
LogP1.85
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 90075154) has the molecular formula C18H19FN2O5S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID90075154
Molecular FormulaC18H19FN2O5S2
Molecular Weight426.49 g/mol
Exact Mass426.07
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)ccc1F
InChIInChI=1S/C18H19FN2O5S2/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)28(25,26)21-15-7-8-27(23,24)11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyUYNPUTLYNMASOZ-UHFFFAOYSA-N
XLogP1.85
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
CID 118396967
N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
CID 144581823
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide (CID 90075154) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)ccc1F.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is UYNPUTLYNMASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S2/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)28(25,26)21-15-7-8-27(23,24)11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 426.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 90075154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).