(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide

C10H12ClN3O3S2 — CID 6930227

IUPAC(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O3S2/c11-7-1-3-8(4-2-7)19(16,17)14-5-6-18-10(14)9(15)13-12/h1-4,10H,5-6,12H2,(H,13,15)/t10-/m0/s1
InChIKeyQSEDNOKNZJUECI-JTQLQIEISA-N
MW321.81 g/mol
LogP0.39
Rot. Bonds3

About (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide

(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide (PubChem CID 6930227) has the molecular formula C10H12ClN3O3S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
PubChem CID6930227
Molecular FormulaC10H12ClN3O3S2
Molecular Weight321.81 g/mol
Exact Mass321.00
IUPAC Name(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O3S2/c11-7-1-3-8(4-2-7)19(16,17)14-5-6-18-10(14)9(15)13-12/h1-4,10H,5-6,12H2,(H,13,15)/t10-/m0/s1
InChIKeyQSEDNOKNZJUECI-JTQLQIEISA-N
XLogP0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide?
The IUPAC name of (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide (CID 6930227) is (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide?
The canonical SMILES for (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide is NNC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide?
The InChIKey is QSEDNOKNZJUECI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12ClN3O3S2/c11-7-1-3-8(4-2-7)19(16,17)14-5-6-18-10(14)9(15)13-12/h1-4,10H,5-6,12H2,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide?
(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide has a molecular weight of 321.81 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide is sourced from PubChem (CID 6930227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).