4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine

C16H18ClNO2S2 — CID 2943089

IUPAC4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18ClNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyDAADKNRQVDNIPG-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.04
Rot. Bonds4

About 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine

4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine (PubChem CID 2943089) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
PubChem CID2943089
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC Name4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18ClNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyDAADKNRQVDNIPG-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 53118998
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
(1-benzylpiperidin-3-yl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 55986696
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 45029631
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine (CID 2943089) is 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine?
The InChIKey is DAADKNRQVDNIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2.
What are the key properties of 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine?
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine has a molecular weight of 355.91 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 2943089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).