2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

C20H22ClN3O4S — CID 4243769

IUPAC2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1
InChIInChI=1S/C20H22ClN3O4S/c1-12-5-8-17(13(2)9-12)24-19(25)11-16(20(24)26)22-14-6-7-15(21)18(10-14)29(27,28)23(3)4/h5-10,16,22H,11H2,1-4H3
InChIKeyZSRKRMRGEWIZRI-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.95
Rot. Bonds5

About 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide

2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 4243769) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID4243769
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1
InChIInChI=1S/C20H22ClN3O4S/c1-12-5-8-17(13(2)9-12)24-19(25)11-16(20(24)26)22-14-6-7-15(21)18(10-14)29(27,28)23(3)4/h5-10,16,22H,11H2,1-4H3
InChIKeyZSRKRMRGEWIZRI-UHFFFAOYSA-N
XLogP2.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16277945
2-(4-chloro-N-(2-chloro-5-nitrophenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 4039390
2-chloro-5-[[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 4284193
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(phenylmethyl)amino]acetamide
CID 4520711
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 3586597
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 5115754
2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 5199586
4-[2-[[1-(3,4-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2877395
4-(2-{[1-(3-Chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2877510
4-({[1-(3-Chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}methyl)benzenesulfonamide
CID 2877376
4-(2-{[1-(3-Chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino}ethyl)benzenesulfonamide
CID 2877567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 4243769) is 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is Cc1ccc(N2C(=O)CC(Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1.
What is the InChIKey of 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZSRKRMRGEWIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-12-5-8-17(13(2)9-12)24-19(25)11-16(20(24)26)22-14-6-7-15(21)18(10-14)29(27,28)23(3)4/h5-10,16,22H,11H2,1-4H3.
What are the key properties of 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide?
2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 435.93 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4243769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).