5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione

C14H17ClN2O4S — CID 13312668

IUPAC5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCCCCCS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C14H17ClN2O4S/c1-2-3-4-7-22(20,21)11-6-5-9(15)8-10(11)12-13(18)17-14(19)16-12/h5-6,8,12H,2-4,7H2,1H3,(H2,16,17,18,19)
InChIKeyKIWGOJFEYDUYQS-UHFFFAOYSA-N
MW344.82 g/mol
LogP2.18
Rot. Bonds6

About 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione

5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 13312668) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID13312668
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCCCCCS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C14H17ClN2O4S/c1-2-3-4-7-22(20,21)11-6-5-9(15)8-10(11)12-13(18)17-14(19)16-12/h5-6,8,12H,2-4,7H2,1H3,(H2,16,17,18,19)
InChIKeyKIWGOJFEYDUYQS-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-Chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
CID 13312629
5-(5-Chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312636
4-Chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
CID 13312649
6-Chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572734
5-(5-Chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 13312620
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfinyl]phenyl]imidazolidine-2,4-dione
CID 13312634
5-(5-Chloro-2-ethylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312637
5-(5-Chloro-2-propylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312638
5-(5-Chloro-2-propan-2-ylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312639
5-(5-Fluoro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312640
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312643
5-[5-Chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312644

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione (CID 13312668) is 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione is CCCCCS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is KIWGOJFEYDUYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-2-3-4-7-22(20,21)11-6-5-9(15)8-10(11)12-13(18)17-14(19)16-12/h5-6,8,12H,2-4,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione?
5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 344.82 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).