5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole

C17H16F2N4O2S — CID 1469807

IUPAC5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16F2N4O2S/c18-12-2-1-3-15(10-12)26(24,25)22-8-6-14(7-9-22)23-17-5-4-13(19)11-16(17)20-21-23/h1-5,10-11,14H,6-9H2
InChIKeyJHNVBBCSEYAFAT-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.74
Rot. Bonds3

About 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole

5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole (PubChem CID 1469807) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole.

Molecular Properties

Compound Name5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
PubChem CID1469807
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C17H16F2N4O2S/c18-12-2-1-3-15(10-12)26(24,25)22-8-6-14(7-9-22)23-17-5-4-13(19)11-16(17)20-21-23/h1-5,10-11,14H,6-9H2
InChIKeyJHNVBBCSEYAFAT-UHFFFAOYSA-N
XLogP2.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.74
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
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
CID 1469808
N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 1469837
5-(trifluoromethyl)-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzotriazole
CID 1469581
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)benzotriazole
CID 650819
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole?
The IUPAC name of 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole (CID 1469807) is 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole.
What is the SMILES notation for 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole?
The canonical SMILES for 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole is O=S(=O)(c1cccc(F)c1)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole?
The InChIKey is JHNVBBCSEYAFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-12-2-1-3-15(10-12)26(24,25)22-8-6-14(7-9-22)23-17-5-4-13(19)11-16(17)20-21-23/h1-5,10-11,14H,6-9H2.
What are the key properties of 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole?
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole has a molecular weight of 378.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole is sourced from PubChem (CID 1469807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).