2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole

C17H16ClN3O3S2 — CID 30864274

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-3-5-14(6-4-13)26(22,23)21-9-7-12(8-10-21)16-19-20-17(25-16)15-2-1-11-24-15/h1-6,11-12H,7-10H2
InChIKeyVBCORGCCAWJZLU-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.02
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole

2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole (PubChem CID 30864274) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
PubChem CID30864274
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C17H16ClN3O3S2/c18-13-3-5-14(6-4-13)26(22,23)21-9-7-12(8-10-21)16-19-20-17(25-16)15-2-1-11-24-15/h1-6,11-12H,7-10H2
InChIKeyVBCORGCCAWJZLU-UHFFFAOYSA-N
XLogP4.02
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole (CID 30864274) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole is O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
The InChIKey is VBCORGCCAWJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-13-3-5-14(6-4-13)26(22,23)21-9-7-12(8-10-21)16-19-20-17(25-16)15-2-1-11-24-15/h1-6,11-12H,7-10H2.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole?
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole has a molecular weight of 409.92 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-(furan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30864274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).