4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

C17H15ClF2N2O3S — CID 7516982

IUPAC4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H15ClF2N2O3S/c18-13-5-3-11(9-16(13)22-7-1-2-8-26(22,24)25)17(23)21-15-10-12(19)4-6-14(15)20/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyARNYFVAJIJQGDW-UHFFFAOYSA-N
MW400.83 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide

4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 7516982) has the molecular formula C17H15ClF2N2O3S and a molecular weight of 400.83 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID7516982
Molecular FormulaC17H15ClF2N2O3S
Molecular Weight400.83 g/mol
Exact Mass400.05
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H15ClF2N2O3S/c18-13-5-3-11(9-16(13)22-7-1-2-8-26(22,24)25)17(23)21-15-10-12(19)4-6-14(15)20/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyARNYFVAJIJQGDW-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-methoxybenzamide
CID 110618019
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(1-methylindol-4-yl)benzamide
CID 71704555
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
2-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]ethyl-diethylazanium
CID 7686137
2-chloro-N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-fluorobenzamide
CID 7483310
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide (CID 7516982) is 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is O=C(Nc1cc(F)ccc1F)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is ARNYFVAJIJQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3S/c18-13-5-3-11(9-16(13)22-7-1-2-8-26(22,24)25)17(23)21-15-10-12(19)4-6-14(15)20/h3-6,9-10H,1-2,7-8H2,(H,21,23).
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide?
4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 400.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 7516982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).