2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide

C20H26ClN3O4S — CID 91524101

IUPAC2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide
SMILESC[C@H](C(=O)N1CCCCC1)N1CC=C(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H26ClN3O4S/c1-15(19(25)23-11-3-2-4-12-23)24-13-9-18(20(24)26)22-29(27,28)14-10-16-5-7-17(21)8-6-16/h5-9,15,22H,2-4,10-14H2,1H3/t15-/m1/s1
InChIKeyDRBXEVLZDLSUQL-OAHLLOKOSA-N
MW439.97 g/mol
LogP1.93
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide

2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide (PubChem CID 91524101) has the molecular formula C20H26ClN3O4S and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide
PubChem CID91524101
Molecular FormulaC20H26ClN3O4S
Molecular Weight439.97 g/mol
Exact Mass439.13
IUPAC Name2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide
SMILESC[C@H](C(=O)N1CCCCC1)N1CC=C(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H26ClN3O4S/c1-15(19(25)23-11-3-2-4-12-23)24-13-9-18(20(24)26)22-29(27,28)14-10-16-5-7-17(21)8-6-16/h5-9,15,22H,2-4,10-14H2,1H3/t15-/m1/s1
InChIKeyDRBXEVLZDLSUQL-OAHLLOKOSA-N
XLogP1.93
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
2-(4-chlorophenyl)-N-[1-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 90765528
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-ylpropan-1-one
CID 9318787
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
CID 141138264
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-chlorophenyl)methanesulfonamide
CID 2240774
2-amino-3-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 10017425
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide (CID 91524101) is 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide is C[C@H](C(=O)N1CCCCC1)N1CC=C(NS(=O)(=O)CCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide?
The InChIKey is DRBXEVLZDLSUQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26ClN3O4S/c1-15(19(25)23-11-3-2-4-12-23)24-13-9-18(20(24)26)22-29(27,28)14-10-16-5-7-17(21)8-6-16/h5-9,15,22H,2-4,10-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide?
2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide has a molecular weight of 439.97 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-oxo-1-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-pyrrol-4-yl]ethanesulfonamide is sourced from PubChem (CID 91524101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).