[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H20Cl2N2O3S — CID 1003984

IUPAC[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-13-3-4-14(18)15(11-13)24(22,23)20-9-5-12(6-10-20)16(21)19-7-1-2-8-19/h3-4,11-12H,1-2,5-10H2
InChIKeyBZKXKANMTZBKDQ-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.02
Rot. Bonds3

About [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1003984) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID1003984
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC Name[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-13-3-4-14(18)15(11-13)24(22,23)20-9-5-12(6-10-20)16(21)19-7-1-2-8-19/h3-4,11-12H,1-2,5-10H2
InChIKeyBZKXKANMTZBKDQ-UHFFFAOYSA-N
XLogP3.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 1003984) is [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCC1.
What is the InChIKey of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BZKXKANMTZBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c17-13-3-4-14(18)15(11-13)24(22,23)20-9-5-12(6-10-20)16(21)19-7-1-2-8-19/h3-4,11-12H,1-2,5-10H2.
What are the key properties of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 391.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1003984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).