N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide

C17H23ClN2O4S — CID 6489648

IUPACN-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O4S/c18-14-3-5-15(6-4-14)25(22,23)20-9-7-13(8-10-20)12-19-17(21)16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,19,21)
InChIKeyVACZHWJJYGZMGY-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.04
Rot. Bonds5

About N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide

N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 6489648) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID6489648
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC NameN-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCO1
InChIInChI=1S/C17H23ClN2O4S/c18-14-3-5-15(6-4-14)25(22,23)20-9-7-13(8-10-20)12-19-17(21)16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,19,21)
InChIKeyVACZHWJJYGZMGY-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide (CID 6489648) is N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CCCO1.
What is the InChIKey of N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is VACZHWJJYGZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c18-14-3-5-15(6-4-14)25(22,23)20-9-7-13(8-10-20)12-19-17(21)16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,19,21).
What are the key properties of N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide?
N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 386.90 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 6489648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).