(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

C16H15ClFNO3S2 — CID 99903324

IUPAC(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H15ClFNO3S2/c17-15-8-7-14(23-15)16(20)19-9-1-2-13(10-19)24(21,22)12-5-3-11(18)4-6-12/h3-8,13H,1-2,9-10H2/t13-/m0/s1
InChIKeyZXBIPFCUGQPWPY-ZDUSSCGKSA-N
MW387.89 g/mol
LogP3.62
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 99903324) has the molecular formula C16H15ClFNO3S2 and a molecular weight of 387.89 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID99903324
Molecular FormulaC16H15ClFNO3S2
Molecular Weight387.89 g/mol
Exact Mass387.02
IUPAC Name(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H15ClFNO3S2/c17-15-8-7-14(23-15)16(20)19-9-1-2-13(10-19)24(21,22)12-5-3-11(18)4-6-12/h3-8,13H,1-2,9-10H2/t13-/m0/s1
InChIKeyZXBIPFCUGQPWPY-ZDUSSCGKSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (CID 99903324) is (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is ZXBIPFCUGQPWPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15ClFNO3S2/c17-15-8-7-14(23-15)16(20)19-9-1-2-13(10-19)24(21,22)12-5-3-11(18)4-6-12/h3-8,13H,1-2,9-10H2/t13-/m0/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 387.89 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 99903324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).