[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H23ClN2O4S — CID 2998548

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C17H23ClN2O4S/c1-12-10-19(11-13(2)24-12)17(21)16-4-3-9-20(16)25(22,23)15-7-5-14(18)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyQSJHXWYJUJISRC-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.13
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2998548) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2998548
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C17H23ClN2O4S/c1-12-10-19(11-13(2)24-12)17(21)16-4-3-9-20(16)25(22,23)15-7-5-14(18)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3
InChIKeyQSJHXWYJUJISRC-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 2998548) is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is QSJHXWYJUJISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-12-10-19(11-13(2)24-12)17(21)16-4-3-9-20(16)25(22,23)15-7-5-14(18)6-8-15/h5-8,12-13,16H,3-4,9-11H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 386.90 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2998548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).