2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole

C15H12N2O3S2 — CID 10854032

IUPAC2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(S(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2O3S2/c1-20-12-9-7-11(8-10-12)14-16-17-15(21-14)22(18,19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyMTRMXBSZTPFDLH-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.05
Rot. Bonds4

About 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole

2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 10854032) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID10854032
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(S(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2O3S2/c1-20-12-9-7-11(8-10-12)14-16-17-15(21-14)22(18,19)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyMTRMXBSZTPFDLH-UHFFFAOYSA-N
XLogP3.05
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole (CID 10854032) is 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(S(=O)(=O)c3ccccc3)s2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is MTRMXBSZTPFDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-20-12-9-7-11(8-10-12)14-16-17-15(21-14)22(18,19)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole?
2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 332.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 10854032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).