4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

C17H23N3O4S — CID 113184960

IUPAC4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2CC(C(=O)N3CCCC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O4S/c18-25(23,24)15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2,(H2,18,23,24)
InChIKeyJPHVIQYHPXNRQM-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.35
Rot. Bonds5

About 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide

4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 113184960) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
PubChem CID113184960
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2CC(C(=O)N3CCCC3)CC2=O)cc1
InChIInChI=1S/C17H23N3O4S/c18-25(23,24)15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2,(H2,18,23,24)
InChIKeyJPHVIQYHPXNRQM-UHFFFAOYSA-N
XLogP0.35
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
N-[2-(dimethylamino)ethyl]-5-oxo-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113184969
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
ethyl (3R)-1-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9374364
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182530
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
1-(2-phenylethyl)-4-[4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 55344220
4-(3-aminopiperidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 119380855

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide (CID 113184960) is 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN2CC(C(=O)N3CCCC3)CC2=O)cc1.
What is the InChIKey of 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is JPHVIQYHPXNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c18-25(23,24)15-5-3-13(4-6-15)7-10-20-12-14(11-16(20)21)17(22)19-8-1-2-9-19/h3-6,14H,1-2,7-12H2,(H2,18,23,24).
What are the key properties of 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-oxo-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 113184960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).