2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide

C14H15ClN4O4S — CID 11523586

IUPAC2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(10-4-3-9(8-16)11(15)7-10)13(21)18(14)5-6-24(17,22)23/h3-4,7H,5-6H2,1-2H3,(H2,17,22,23)
InChIKeyHJABYSDYXFPLFU-UHFFFAOYSA-N
MW370.82 g/mol
LogP1.05
Rot. Bonds4

About 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide

2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide (PubChem CID 11523586) has the molecular formula C14H15ClN4O4S and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
PubChem CID11523586
Molecular FormulaC14H15ClN4O4S
Molecular Weight370.82 g/mol
Exact Mass370.05
IUPAC Name2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide
SMILESCC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCS(N)(=O)=O
InChIInChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(10-4-3-9(8-16)11(15)7-10)13(21)18(14)5-6-24(17,22)23/h3-4,7H,5-6H2,1-2H3,(H2,17,22,23)
InChIKeyHJABYSDYXFPLFU-UHFFFAOYSA-N
XLogP1.05
TPSA124.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CH-4933468
CID 11632731
3-(3-(3-Chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)benzenesulfonamide
CID 11633474
2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4967636
3-[3-(4-Cyanophenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]propane-1-sulfonamide
CID 11639214
2-Chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
CID 66751481
1-(Dichlorofluoromethylthio)-3-(3'-chloro-4'-methylphenyl)-imidazolidine-2,4-dione
CID 21489477
2-Chloro-4-(3-ethyl-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3-fluorobenzonitrile
CID 123524958
1-(3-Chloro-4-cyano-2-fluorophenyl)-3-(4-cyanophenyl)-4,4-dimethyl-5-oxoimidazolidine-2-sulfonic acid
CID 174646636
1-(3-Chloro-4-cyano-2-fluorophenyl)-4,4-dimethyl-3-(4-methylphenyl)-5-oxoimidazolidine-2-sulfonic acid
CID 174646639
[4-[3-(3-Chloro-4-cyano-2-fluorophenyl)-5,5-dimethyl-4-oxo-2-sulfoimidazolidin-1-yl]phenyl]methanesulfinate
CID 174646640
[1-(3-Chloro-4-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677007
1-(3-Chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715410

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide (CID 11523586) is 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide is CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=O)N1CCS(N)(=O)=O.
What is the InChIKey of 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
The InChIKey is HJABYSDYXFPLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S/c1-14(2)12(20)19(10-4-3-9(8-16)11(15)7-10)13(21)18(14)5-6-24(17,22)23/h3-4,7H,5-6H2,1-2H3,(H2,17,22,23).
What are the key properties of 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide?
2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide has a molecular weight of 370.82 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 11523586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).