N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide

C12H15N3O4S — CID 110719186

IUPACN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C12H15N3O4S/c1-9-3-2-4-10(7-9)20(18,19)14-5-6-15-11(16)8-13-12(15)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,17)
InChIKeyPJOCTWCACWSZOH-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.17
Rot. Bonds5

About N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 110719186) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID110719186
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C12H15N3O4S/c1-9-3-2-4-10(7-9)20(18,19)14-5-6-15-11(16)8-13-12(15)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,17)
InChIKeyPJOCTWCACWSZOH-UHFFFAOYSA-N
XLogP-0.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
CID 110719076
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110719180
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400828
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
CID 155203443
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]butane-1-sulfonamide
CID 110719155
3-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710191
2-[2-[(3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide (CID 110719186) is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCN2C(=O)CNC2=O)c1.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is PJOCTWCACWSZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-9-3-2-4-10(7-9)20(18,19)14-5-6-15-11(16)8-13-12(15)17/h2-4,7,14H,5-6,8H2,1H3,(H,13,17).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110719186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).