[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone

C15H18ClNO3S — CID 3248780

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3S/c16-12-4-6-13(7-5-12)21(19,20)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyQUJFREQSEDILST-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.66
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone (PubChem CID 3248780) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
PubChem CID3248780
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3S/c16-12-4-6-13(7-5-12)21(19,20)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyQUJFREQSEDILST-UHFFFAOYSA-N
XLogP2.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.66
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]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone (CID 3248780) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is QUJFREQSEDILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c16-12-4-6-13(7-5-12)21(19,20)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 327.83 g/mol, XLogP of 2.66, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 3248780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).