(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

C16H21ClN2O3S — CID 4806777

IUPAC(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-14-7-6-13(16(20)18-8-4-5-9-18)12-15(14)23(21,22)19-10-2-1-3-11-19/h6-7,12H,1-5,8-11H2
InChIKeyGTKWUQRGPXYILS-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.75
Rot. Bonds3

About (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 4806777) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID4806777
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C16H21ClN2O3S/c17-14-7-6-13(16(20)18-8-4-5-9-18)12-15(14)23(21,22)19-10-2-1-3-11-19/h6-7,12H,1-5,8-11H2
InChIKeyGTKWUQRGPXYILS-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (CID 4806777) is (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1.
What is the InChIKey of (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is GTKWUQRGPXYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-14-7-6-13(16(20)18-8-4-5-9-18)12-15(14)23(21,22)19-10-2-1-3-11-19/h6-7,12H,1-5,8-11H2.
What are the key properties of (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 356.88 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-piperidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4806777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).