3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide

C17H17ClN2O3S — CID 112505513

IUPAC3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-14-6-3-5-13(11-14)17(21)19-15-7-4-8-16(12-15)20-9-1-2-10-24(20,22)23/h3-8,11-12H,1-2,9-10H2,(H,19,21)
InChIKeyNJPZGKGPZZBHEC-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.52
Rot. Bonds3

About 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide

3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide (PubChem CID 112505513) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
PubChem CID112505513
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-14-6-3-5-13(11-14)17(21)19-15-7-4-8-16(12-15)20-9-1-2-10-24(20,22)23/h3-8,11-12H,1-2,9-10H2,(H,19,21)
InChIKeyNJPZGKGPZZBHEC-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.52
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-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482859
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785
3-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 92734125

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide (CID 112505513) is 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide?
The InChIKey is NJPZGKGPZZBHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-6-3-5-13(11-14)17(21)19-15-7-4-8-16(12-15)20-9-1-2-10-24(20,22)23/h3-8,11-12H,1-2,9-10H2,(H,19,21).
What are the key properties of 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide?
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide has a molecular weight of 364.85 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide is sourced from PubChem (CID 112505513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).