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

C17H16F2N2O3S — CID 7686052

IUPACN-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H16F2N2O3S/c18-15-7-6-13(11-16(15)19)20-17(22)12-4-3-5-14(10-12)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyQBHCLDIWIVLXDO-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.15
Rot. Bonds3

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

N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7686052) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7686052
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H16F2N2O3S/c18-15-7-6-13(11-16(15)19)20-17(22)12-4-3-5-14(10-12)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22)
InChIKeyQBHCLDIWIVLXDO-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
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
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
N-(5-acetamido-2-methoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499116
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 7686052) is N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is QBHCLDIWIVLXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-15-7-6-13(11-16(15)19)20-17(22)12-4-3-5-14(10-12)21-8-1-2-9-25(21,23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 366.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7686052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).