[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

C17H23ClN2O3S — CID 6460354

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3S/c1-13-8-11-19(12-9-13)17(21)16-3-2-10-20(16)24(22,23)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3
InChIKeyRJCIWZLBAADWDV-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.75
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 6460354) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID6460354
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3S/c1-13-8-11-19(12-9-13)17(21)16-3-2-10-20(16)24(22,23)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3
InChIKeyRJCIWZLBAADWDV-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 6460354) is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RJCIWZLBAADWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-13-8-11-19(12-9-13)17(21)16-3-2-10-20(16)24(22,23)15-6-4-14(18)5-7-15/h4-7,13,16H,2-3,8-12H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 370.90 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 6460354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).