2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole

C15H11ClN2O2S3 — CID 10762498

IUPAC2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)s1
InChIInChI=1S/C15H11ClN2O2S3/c16-12-6-8-13(9-7-12)23(19,20)15-18-17-14(22-15)21-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyUNGJEGUJIYHPBT-UHFFFAOYSA-N
MW382.92 g/mol
LogP4.32
Rot. Bonds5

About 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole

2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (PubChem CID 10762498) has the molecular formula C15H11ClN2O2S3 and a molecular weight of 382.92 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
PubChem CID10762498
Molecular FormulaC15H11ClN2O2S3
Molecular Weight382.92 g/mol
Exact Mass381.97
IUPAC Name2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)s1
InChIInChI=1S/C15H11ClN2O2S3/c16-12-6-8-13(9-7-12)23(19,20)15-18-17-14(22-15)21-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyUNGJEGUJIYHPBT-UHFFFAOYSA-N
XLogP4.32
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole (CID 10762498) is 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)c1nnc(SCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
The InChIKey is UNGJEGUJIYHPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S3/c16-12-6-8-13(9-7-12)23(19,20)15-18-17-14(22-15)21-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole?
2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole has a molecular weight of 382.92 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 10762498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).