3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide

C16H14Cl2N2O3S — CID 7482859

IUPAC3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c17-12-4-1-3-11(9-12)16(21)19-15-6-5-13(10-14(15)18)20-7-2-8-24(20,22)23/h1,3-6,9-10H,2,7-8H2,(H,19,21)
InChIKeyQQBOFVBUINIHLD-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.79
Rot. Bonds3

About 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide

3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (PubChem CID 7482859) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
PubChem CID7482859
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c17-12-4-1-3-11(9-12)16(21)19-15-6-5-13(10-14(15)18)20-7-2-8-24(20,22)23/h1,3-6,9-10H,2,7-8H2,(H,19,21)
InChIKeyQQBOFVBUINIHLD-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 56530330
N-(2-chloro-4-nitrophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7499095
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4-difluorobenzamide
CID 112505881
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-iodobenzamide
CID 55815207
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-(2-fluorophenyl)benzamide
CID 51309461
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51309956
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 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide (CID 7482859) is 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
The InChIKey is QQBOFVBUINIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c17-12-4-1-3-11(9-12)16(21)19-15-6-5-13(10-14(15)18)20-7-2-8-24(20,22)23/h1,3-6,9-10H,2,7-8H2,(H,19,21).
What are the key properties of 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide?
3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide has a molecular weight of 385.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7482859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).