[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone

C16H20ClNO3S — CID 3491758

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H20ClNO3S/c1-12-6-10-18(11-7-12)15(19)16(8-9-16)22(20,21)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeySFSXUQHLCSGNND-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.90
Rot. Bonds3

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

[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3491758) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3491758
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C16H20ClNO3S/c1-12-6-10-18(11-7-12)15(19)16(8-9-16)22(20,21)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeySFSXUQHLCSGNND-UHFFFAOYSA-N
XLogP2.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone (CID 3491758) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SFSXUQHLCSGNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c1-12-6-10-18(11-7-12)15(19)16(8-9-16)22(20,21)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 341.86 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3491758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).