1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole

C17H16ClFN4O2S — CID 1469804

IUPAC1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16ClFN4O2S/c18-12-1-4-15(5-2-12)26(24,25)22-9-7-14(8-10-22)23-17-6-3-13(19)11-16(17)20-21-23/h1-6,11,14H,7-10H2
InChIKeyCVUBOHNDFAZEHS-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole

1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole (PubChem CID 1469804) has the molecular formula C17H16ClFN4O2S and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
PubChem CID1469804
Molecular FormulaC17H16ClFN4O2S
Molecular Weight394.86 g/mol
Exact Mass394.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16ClFN4O2S/c18-12-1-4-15(5-2-12)26(24,25)22-9-7-14(8-10-22)23-17-6-3-13(19)11-16(17)20-21-23/h1-6,11,14H,7-10H2
InChIKeyCVUBOHNDFAZEHS-UHFFFAOYSA-N
XLogP3.25
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole 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 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole (CID 1469804) is 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole is O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The InChIKey is CVUBOHNDFAZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S/c18-12-1-4-15(5-2-12)26(24,25)22-9-7-14(8-10-22)23-17-6-3-13(19)11-16(17)20-21-23/h1-6,11,14H,7-10H2.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole has a molecular weight of 394.86 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole is sourced from PubChem (CID 1469804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).