3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C14H16FN3O3S2 — CID 49355497

IUPAC3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCc2nccs2)ccc1F
InChIInChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)12-9-10(3-4-11(12)15)14(19)17-6-5-13-16-7-8-22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyVUXCVQOHTYNCAA-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.50
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 49355497) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID49355497
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC Name3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCCc2nccs2)ccc1F
InChIInChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)12-9-10(3-4-11(12)15)14(19)17-6-5-13-16-7-8-22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyVUXCVQOHTYNCAA-UHFFFAOYSA-N
XLogP1.50
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]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

3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
3-(dimethylsulfamoyl)-4-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660579
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 49355497) is 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCCc2nccs2)ccc1F.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is VUXCVQOHTYNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-18(2)23(20,21)12-9-10(3-4-11(12)15)14(19)17-6-5-13-16-7-8-22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 357.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 49355497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).