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

C22H16Cl2N2O2S2 — CID 73357088

IUPAC4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2O2S2/c23-18-8-6-17(7-9-18)21-15-26(14-16-4-2-1-3-5-16)22(29-21)25-19-10-12-20(13-11-19)30(24,27)28/h1-13,15H,14H2/b25-22-
InChIKeyBVQSXEDQFDFGPH-LVWGJNHUSA-N
MW475.42 g/mol
LogP6.08
Rot. Bonds5

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

4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride (PubChem CID 73357088) has the molecular formula C22H16Cl2N2O2S2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
PubChem CID73357088
Molecular FormulaC22H16Cl2N2O2S2
Molecular Weight475.42 g/mol
Exact Mass474.00
IUPAC Name4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2O2S2/c23-18-8-6-17(7-9-18)21-15-26(14-16-4-2-1-3-5-16)22(29-21)25-19-10-12-20(13-11-19)30(24,27)28/h1-13,15H,14H2/b25-22-
InChIKeyBVQSXEDQFDFGPH-LVWGJNHUSA-N
XLogP6.08
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The IUPAC name of 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride (CID 73357088) is 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The InChIKey is BVQSXEDQFDFGPH-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S2/c23-18-8-6-17(7-9-18)21-15-26(14-16-4-2-1-3-5-16)22(29-21)25-19-10-12-20(13-11-19)30(24,27)28/h1-13,15H,14H2/b25-22-.
What are the key properties of 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride has a molecular weight of 475.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride is sourced from PubChem (CID 73357088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).