3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide

C17H17FN2O3S — CID 7686047

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H17FN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyWVWHZVLXVOONRH-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.01
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide (PubChem CID 7686047) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
PubChem CID7686047
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H17FN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyWVWHZVLXVOONRH-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166635
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 30697494
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 52662842
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide (CID 7686047) is 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide?
The InChIKey is WVWHZVLXVOONRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-6-8-15(9-7-14)19-17(21)13-4-3-5-16(12-13)20-10-1-2-11-24(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 7686047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).