4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine

C14H16FN3O4S2 — CID 71808848

IUPAC4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H16FN3O4S2/c15-11-1-3-12(4-2-11)23(19,20)13-5-7-18(8-6-13)24(21,22)14-9-16-10-17-14/h1-4,9-10,13H,5-8H2,(H,16,17)
InChIKeyPOXDXVJYFCDOSB-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.18
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine

4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine (PubChem CID 71808848) has the molecular formula C14H16FN3O4S2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine
PubChem CID71808848
Molecular FormulaC14H16FN3O4S2
Molecular Weight373.43 g/mol
Exact Mass373.06
IUPAC Name4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C14H16FN3O4S2/c15-11-1-3-12(4-2-11)23(19,20)13-5-7-18(8-6-13)24(21,22)14-9-16-10-17-14/h1-4,9-10,13H,5-8H2,(H,16,17)
InChIKeyPOXDXVJYFCDOSB-UHFFFAOYSA-N
XLogP1.18
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine (CID 71808848) is 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine is O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine?
The InChIKey is POXDXVJYFCDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S2/c15-11-1-3-12(4-2-11)23(19,20)13-5-7-18(8-6-13)24(21,22)14-9-16-10-17-14/h1-4,9-10,13H,5-8H2,(H,16,17).
What are the key properties of 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine?
4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine has a molecular weight of 373.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylsulfonyl)piperidine is sourced from PubChem (CID 71808848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).