2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole

C14H8Cl2N2O4S3 — CID 10550839

IUPAC2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H8Cl2N2O4S3/c15-9-1-5-11(6-2-9)24(19,20)13-17-18-14(23-13)25(21,22)12-7-3-10(16)4-8-12/h1-8H
InChIKeyAFSFWKACCKZCAV-UHFFFAOYSA-N
MW435.34 g/mol
LogP3.51
Rot. Bonds4

About 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole

2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole (PubChem CID 10550839) has the molecular formula C14H8Cl2N2O4S3 and a molecular weight of 435.34 g/mol. Its IUPAC name is 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole
PubChem CID10550839
Molecular FormulaC14H8Cl2N2O4S3
Molecular Weight435.34 g/mol
Exact Mass433.90
IUPAC Name2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H8Cl2N2O4S3/c15-9-1-5-11(6-2-9)24(19,20)13-17-18-14(23-13)25(21,22)12-7-3-10(16)4-8-12/h1-8H
InChIKeyAFSFWKACCKZCAV-UHFFFAOYSA-N
XLogP3.51
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole (CID 10550839) is 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole?
The InChIKey is AFSFWKACCKZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O4S3/c15-9-1-5-11(6-2-9)24(19,20)13-17-18-14(23-13)25(21,22)12-7-3-10(16)4-8-12/h1-8H.
What are the key properties of 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole?
2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole has a molecular weight of 435.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole is sourced from PubChem (CID 10550839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).