4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide

C9H8ClN3O4S — CID 13312649

IUPAC4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C9H8ClN3O4S/c10-4-1-2-6(18(11,16)17)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyXYIUNVBJJDHGAH-UHFFFAOYSA-N
MW289.70 g/mol
LogP-0.13
Rot. Bonds2

About 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide

4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide (PubChem CID 13312649) has the molecular formula C9H8ClN3O4S and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
PubChem CID13312649
Molecular FormulaC9H8ClN3O4S
Molecular Weight289.70 g/mol
Exact Mass288.99
IUPAC Name4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O
InChIInChI=1S/C9H8ClN3O4S/c10-4-1-2-6(18(11,16)17)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyXYIUNVBJJDHGAH-UHFFFAOYSA-N
XLogP-0.13
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
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-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
5-(3,5-Dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312645
5-(5-Chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312646
5-[5-Chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 13312647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide (CID 13312649) is 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1C1NC(=O)NC1=O.
What is the InChIKey of 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide?
The InChIKey is XYIUNVBJJDHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4S/c10-4-1-2-6(18(11,16)17)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,11,16,17)(H2,12,13,14,15).
What are the key properties of 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide?
4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide has a molecular weight of 289.70 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 13312649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).