[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone

C16H20ClNO3S — CID 3474447

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H20ClNO3S/c1-12-3-2-10-18(11-12)15(19)16(8-9-16)22(20,21)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyDWTJXGGUNSJFLZ-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.90
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3474447) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3474447
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H20ClNO3S/c1-12-3-2-10-18(11-12)15(19)16(8-9-16)22(20,21)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3
InChIKeyDWTJXGGUNSJFLZ-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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone (CID 3474447) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DWTJXGGUNSJFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c1-12-3-2-10-18(11-12)15(19)16(8-9-16)22(20,21)14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-methylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-(3-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]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3474447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).