N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide

C17H16F2N2O3S — CID 7584559

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3S/c18-15-8-3-12(11-16(15)19)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-25(21,23)24/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyLSCURTUFCILFCQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.15
Rot. Bonds3

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide (PubChem CID 7584559) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
PubChem CID7584559
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3S/c18-15-8-3-12(11-16(15)19)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-25(21,23)24/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyLSCURTUFCILFCQ-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

N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 134059983
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide (CID 7584559) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide is O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide?
The InChIKey is LSCURTUFCILFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-15-8-3-12(11-16(15)19)17(22)20-13-4-6-14(7-5-13)21-9-1-2-10-25(21,23)24/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide 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-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 7584559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).