2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C11H11ClN2O5S — CID 110618030

IUPAC2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCONC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C11H11ClN2O5S/c1-19-13-11(16)8-6-7(2-3-9(8)12)14-10(15)4-5-20(14,17)18/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyUKKJAELBIQERMZ-UHFFFAOYSA-N
MW318.74 g/mol
LogP0.70
Rot. Bonds3

About 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110618030) has the molecular formula C11H11ClN2O5S and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110618030
Molecular FormulaC11H11ClN2O5S
Molecular Weight318.74 g/mol
Exact Mass318.01
IUPAC Name2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCONC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C11H11ClN2O5S/c1-19-13-11(16)8-6-7(2-3-9(8)12)14-10(15)4-5-20(14,17)18/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKeyUKKJAELBIQERMZ-UHFFFAOYSA-N
XLogP0.70
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methoxybutyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110416362
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42347700
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996957
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137
2-[4-chloro-3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110304632
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007173
N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007163
2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996989
methyl 4-chloro-3-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22694528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110618030) is 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CONC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is UKKJAELBIQERMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O5S/c1-19-13-11(16)8-6-7(2-3-9(8)12)14-10(15)4-5-20(14,17)18/h2-3,6H,4-5H2,1H3,(H,13,16).
What are the key properties of 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 318.74 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110618030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).