4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride

C10H7Cl2NO4S — CID 16642603

IUPAC4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C10H7Cl2NO4S/c11-7-2-1-6(10(12)15)5-8(7)13-9(14)3-4-18(13,16)17/h1-2,5H,3-4H2
InChIKeyKMGXMIIFTHCUBM-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.79
Rot. Bonds2

About 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride

4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride (PubChem CID 16642603) has the molecular formula C10H7Cl2NO4S and a molecular weight of 308.14 g/mol. Its IUPAC name is 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride.

Molecular Properties

Compound Name4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride
PubChem CID16642603
Molecular FormulaC10H7Cl2NO4S
Molecular Weight308.14 g/mol
Exact Mass306.95
IUPAC Name4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C10H7Cl2NO4S/c11-7-2-1-6(10(12)15)5-8(7)13-9(14)3-4-18(13,16)17/h1-2,5H,3-4H2
InChIKeyKMGXMIIFTHCUBM-UHFFFAOYSA-N
XLogP1.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride?
The IUPAC name of 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride (CID 16642603) is 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride.
What is the SMILES notation for 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride?
The canonical SMILES for 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride is O=C(Cl)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride?
The InChIKey is KMGXMIIFTHCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO4S/c11-7-2-1-6(10(12)15)5-8(7)13-9(14)3-4-18(13,16)17/h1-2,5H,3-4H2.
What are the key properties of 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride?
4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride has a molecular weight of 308.14 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl chloride is sourced from PubChem (CID 16642603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).