4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride

C16H13ClN2O3S2 — CID 73352526

IUPAC4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride
SMILESO=C1CN(Cc2ccccc2)/C(=N/c2ccc(S(=O)(=O)Cl)cc2)S1
InChIInChI=1S/C16H13ClN2O3S2/c17-24(21,22)14-8-6-13(7-9-14)18-16-19(11-15(20)23-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2/b18-16-
InChIKeyZVASZWRMMCSUAP-VLGSPTGOSA-N
MW380.88 g/mol
LogP3.38
Rot. Bonds4

About 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride

4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride (PubChem CID 73352526) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride
PubChem CID73352526
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC Name4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride
SMILESO=C1CN(Cc2ccccc2)/C(=N/c2ccc(S(=O)(=O)Cl)cc2)S1
InChIInChI=1S/C16H13ClN2O3S2/c17-24(21,22)14-8-6-13(7-9-14)18-16-19(11-15(20)23-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2/b18-16-
InChIKeyZVASZWRMMCSUAP-VLGSPTGOSA-N
XLogP3.38
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-oxo-1H-isoindole-5-sulfonyl chloride
CID 53435689
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
benzene;benzenesulfonyl chloride
CID 87647314
4-(phenylmethoxymethyl)benzenesulfonyl chloride
CID 11066402
benzenesulfonyl chloride;iron
CID 174954068
3-(benzenesulfonyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 1391562
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
2-benzyl-3-oxo-6-phenyl-1H-isoindole-5-sulfonyl chloride
CID 53435688
3-benzylimidazolidin-4-one
CID 14175562
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
2-benzyl-1,2-thiazolidin-4-one
CID 134182902
1-benzyl-3,4-dichloro-2H-pyrrol-5-one
CID 22345347

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride (CID 73352526) is 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride is O=C1CN(Cc2ccccc2)/C(=N/c2ccc(S(=O)(=O)Cl)cc2)S1.
What is the InChIKey of 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride?
The InChIKey is ZVASZWRMMCSUAP-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c17-24(21,22)14-8-6-13(7-9-14)18-16-19(11-15(20)23-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2/b18-16-.
What are the key properties of 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride?
4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride has a molecular weight of 380.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-5-oxo-1,3-thiazolidin-2-ylidene)amino]benzenesulfonyl chloride is sourced from PubChem (CID 73352526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).