(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone

C18H17ClFNO3S — CID 1085099

IUPAC(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO3S/c19-15-3-1-13(2-4-15)18(22)14-9-11-21(12-10-14)25(23,24)17-7-5-16(20)6-8-17/h1-8,14H,9-12H2
InChIKeyRSAPKXNFVZUZLY-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.76
Rot. Bonds4

About (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone

(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1085099) has the molecular formula C18H17ClFNO3S and a molecular weight of 381.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1085099
Molecular FormulaC18H17ClFNO3S
Molecular Weight381.86 g/mol
Exact Mass381.06
IUPAC Name(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO3S/c19-15-3-1-13(2-4-15)18(22)14-9-11-21(12-10-14)25(23,24)17-7-5-16(20)6-8-17/h1-8,14H,9-12H2
InChIKeyRSAPKXNFVZUZLY-UHFFFAOYSA-N
XLogP3.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone (CID 1085099) is (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is RSAPKXNFVZUZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3S/c19-15-3-1-13(2-4-15)18(22)14-9-11-21(12-10-14)25(23,24)17-7-5-16(20)6-8-17/h1-8,14H,9-12H2.
What are the key properties of (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 381.86 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1085099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).