3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

C14H17ClN2O4S — CID 110710728

IUPAC3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O4S/c15-11-1-3-13(4-2-11)22(19,20)16-7-5-12(6-8-16)17-9-10-21-14(17)18/h1-4,12H,5-10H2
InChIKeyZIBPXMJBARPJIF-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.95
Rot. Bonds3

About 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710728) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710728
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O4S/c15-11-1-3-13(4-2-11)22(19,20)16-7-5-12(6-8-16)17-9-10-21-14(17)18/h1-4,12H,5-10H2
InChIKeyZIBPXMJBARPJIF-UHFFFAOYSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 3748432
3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710722
N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 3448197
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
6-chloro-1-[1-(4-iodophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 142998636
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
6-chloro-1-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-2,4-dihydro-3,1-benzoxazine
CID 69437373
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710728) is 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OCCN1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZIBPXMJBARPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c15-11-1-3-13(4-2-11)22(19,20)16-7-5-12(6-8-16)17-9-10-21-14(17)18/h1-4,12H,5-10H2.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 344.82 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).