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

C18H15ClN2O2S2 — CID 67080890

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)c2nc(C3(c4ccc(Cl)cc4)CC3)ns2)cc1
InChIInChI=1S/C18H15ClN2O2S2/c1-12-2-8-15(9-3-12)25(22,23)17-20-16(21-24-17)18(10-11-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3
InChIKeyWMWXWZJDGDBEOC-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.41
Rot. Bonds4

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

3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole (PubChem CID 67080890) has the molecular formula C18H15ClN2O2S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
PubChem CID67080890
Molecular FormulaC18H15ClN2O2S2
Molecular Weight390.92 g/mol
Exact Mass390.03
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)c2nc(C3(c4ccc(Cl)cc4)CC3)ns2)cc1
InChIInChI=1S/C18H15ClN2O2S2/c1-12-2-8-15(9-3-12)25(22,23)17-20-16(21-24-17)18(10-11-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3
InChIKeyWMWXWZJDGDBEOC-UHFFFAOYSA-N
XLogP4.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole (CID 67080890) is 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole is Cc1ccc(S(=O)(=O)c2nc(C3(c4ccc(Cl)cc4)CC3)ns2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole?
The InChIKey is WMWXWZJDGDBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S2/c1-12-2-8-15(9-3-12)25(22,23)17-20-16(21-24-17)18(10-11-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole?
3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole has a molecular weight of 390.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole is sourced from PubChem (CID 67080890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).