(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde

C10H9Cl2NO3S2 — CID 54149407

IUPAC(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde
SMILESO=C[C@@H]1SCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3S2/c11-7-3-8(12)5-9(4-7)18(15,16)13-1-2-17-10(13)6-14/h3-6,10H,1-2H2/t10-/m0/s1
InChIKeyLCPDUJBZDJPRSM-JTQLQIEISA-N
MW326.23 g/mol
LogP2.26
Rot. Bonds3

About (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde

(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde (PubChem CID 54149407) has the molecular formula C10H9Cl2NO3S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde
PubChem CID54149407
Molecular FormulaC10H9Cl2NO3S2
Molecular Weight326.23 g/mol
Exact Mass324.94
IUPAC Name(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde
SMILESO=C[C@@H]1SCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO3S2/c11-7-3-8(12)5-9(4-7)18(15,16)13-1-2-17-10(13)6-14/h3-6,10H,1-2H2/t10-/m0/s1
InChIKeyLCPDUJBZDJPRSM-JTQLQIEISA-N
XLogP2.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde?
The IUPAC name of (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde (CID 54149407) is (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde?
The canonical SMILES for (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde is O=C[C@@H]1SCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde?
The InChIKey is LCPDUJBZDJPRSM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9Cl2NO3S2/c11-7-3-8(12)5-9(4-7)18(15,16)13-1-2-17-10(13)6-14/h3-6,10H,1-2H2/t10-/m0/s1.
What are the key properties of (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde?
(2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde has a molecular weight of 326.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dichlorophenyl)sulfonyl-1,3-thiazolidine-2-carbaldehyde is sourced from PubChem (CID 54149407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).