1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole

C17H16ClFN4O2S — CID 1469808

IUPAC1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16ClFN4O2S/c18-14-3-1-2-4-17(14)26(24,25)22-9-7-13(8-10-22)23-16-6-5-12(19)11-15(16)20-21-23/h1-6,11,13H,7-10H2
InChIKeyILXOZPQPJFGART-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole

1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole (PubChem CID 1469808) has the molecular formula C17H16ClFN4O2S and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
PubChem CID1469808
Molecular FormulaC17H16ClFN4O2S
Molecular Weight394.86 g/mol
Exact Mass394.07
IUPAC Name1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16ClFN4O2S/c18-14-3-1-2-4-17(14)26(24,25)22-9-7-13(8-10-22)23-16-6-5-12(19)11-15(16)20-21-23/h1-6,11,13H,7-10H2
InChIKeyILXOZPQPJFGART-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

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Related Compounds

5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 43814471
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 1469837
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methylbenzotriazole
CID 1469697
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
5-(trifluoromethyl)-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzotriazole
CID 1469581
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 43814474
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole (CID 1469808) is 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole.
What is the SMILES notation for 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The canonical SMILES for 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole is O=S(=O)(c1ccccc1Cl)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
The InChIKey is ILXOZPQPJFGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O2S/c18-14-3-1-2-4-17(14)26(24,25)22-9-7-13(8-10-22)23-16-6-5-12(19)11-15(16)20-21-23/h1-6,11,13H,7-10H2.
What are the key properties of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole?
1-[1-(2-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-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole is sourced from PubChem (CID 1469808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).