2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole

C15H11ClN2O2S2 — CID 42632521

IUPAC2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S2/c16-13-9-5-4-8-12(13)15-18-17-14(21-15)10-22(19,20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMPDZTAJJZQXQGV-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.83
Rot. Bonds4

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

2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole (PubChem CID 42632521) has the molecular formula C15H11ClN2O2S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
PubChem CID42632521
Molecular FormulaC15H11ClN2O2S2
Molecular Weight350.85 g/mol
Exact Mass350.00
IUPAC Name2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S2/c16-13-9-5-4-8-12(13)15-18-17-14(21-15)10-22(19,20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyMPDZTAJJZQXQGV-UHFFFAOYSA-N
XLogP3.83
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole (CID 42632521) is 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole is O=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole?
The InChIKey is MPDZTAJJZQXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S2/c16-13-9-5-4-8-12(13)15-18-17-14(21-15)10-22(19,20)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole?
2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole has a molecular weight of 350.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 42632521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).