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

C15H10Cl2N2O2S2 — CID 42630848

IUPAC2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S2/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyHHKMDSXLAQSPAR-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.49
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole (PubChem CID 42630848) has the molecular formula C15H10Cl2N2O2S2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole
PubChem CID42630848
Molecular FormulaC15H10Cl2N2O2S2
Molecular Weight385.30 g/mol
Exact Mass383.96
IUPAC Name2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S2/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyHHKMDSXLAQSPAR-UHFFFAOYSA-N
XLogP4.49
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole (CID 42630848) is 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole is O=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole?
The InChIKey is HHKMDSXLAQSPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S2/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2.
What are the key properties of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole?
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole has a molecular weight of 385.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 42630848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).