4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide

C19H20ClN3O4S — CID 1420538

IUPAC4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-12-2-5-14(10-16(12)20)23-18(24)11-17(19(23)25)22-9-8-13-3-6-15(7-4-13)28(21,26)27/h2-7,10,17,22H,8-9,11H2,1H3,(H2,21,26,27)/t17-/m1/s1
InChIKeyXXTCHQYCFPCHIN-QGZVFWFLSA-N
MW421.91 g/mol
LogP1.76
Rot. Bonds6

About 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide

4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 1420538) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID1420538
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-12-2-5-14(10-16(12)20)23-18(24)11-17(19(23)25)22-9-8-13-3-6-15(7-4-13)28(21,26)27/h2-7,10,17,22H,8-9,11H2,1H3,(H2,21,26,27)/t17-/m1/s1
InChIKeyXXTCHQYCFPCHIN-QGZVFWFLSA-N
XLogP1.76
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1090820
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
4-[2-[[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2869088
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[2,5-dioxo-3-[2-(4-sulfamoylphenyl)ethylamino]pyrrolidin-1-yl]benzoate
CID 21171356
phenacyl 4-[2,5-dioxo-3-[2-(4-sulfamoylphenyl)ethylamino]pyrrolidin-1-yl]benzoate
CID 21168678
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1418366
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
ethyl 4-[(3R)-2,5-dioxo-3-[(4-sulfamoylphenyl)methylamino]pyrrolidin-1-yl]benzoate
CID 2230774

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide (CID 1420538) is 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl.
What is the InChIKey of 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is XXTCHQYCFPCHIN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-12-2-5-14(10-16(12)20)23-18(24)11-17(19(23)25)22-9-8-13-3-6-15(7-4-13)28(21,26)27/h2-7,10,17,22H,8-9,11H2,1H3,(H2,21,26,27)/t17-/m1/s1.
What are the key properties of 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 421.91 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 1420538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).