5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

C15H19ClN4O3S2 — CID 133352028

IUPAC5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C15H19ClN4O3S2/c1-23-11-6-14-17-15(24-18-14)19-7-9-20(10-8-19)25(21,22)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3
InChIKeyGIGPKXIBJKSULJ-UHFFFAOYSA-N
MW402.93 g/mol
LogP1.89
Rot. Bonds6

About 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 133352028) has the molecular formula C15H19ClN4O3S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID133352028
Molecular FormulaC15H19ClN4O3S2
Molecular Weight402.93 g/mol
Exact Mass402.06
IUPAC Name5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C15H19ClN4O3S2/c1-23-11-6-14-17-15(24-18-14)19-7-9-20(10-8-19)25(21,22)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3
InChIKeyGIGPKXIBJKSULJ-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 133352028) is 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is GIGPKXIBJKSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S2/c1-23-11-6-14-17-15(24-18-14)19-7-9-20(10-8-19)25(21,22)13-4-2-12(16)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 402.93 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133352028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).