5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide

C18H17Cl2N3O6S — CID 24786094

IUPAC5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17Cl2N3O6S/c1-22(2)30(26,27)15-8-11(4-5-14(15)28-3)29-17-12(19)6-10(7-13(17)20)23-9-16(24)21-18(23)25/h4-8H,9H2,1-3H3,(H,21,24,25)
InChIKeyYHYIIOXBRQUKPN-UHFFFAOYSA-N
MW474.32 g/mol
LogP3.10
Rot. Bonds6

About 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide

5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 24786094) has the molecular formula C18H17Cl2N3O6S and a molecular weight of 474.32 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID24786094
Molecular FormulaC18H17Cl2N3O6S
Molecular Weight474.32 g/mol
Exact Mass473.02
IUPAC Name5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17Cl2N3O6S/c1-22(2)30(26,27)15-8-11(4-5-14(15)28-3)29-17-12(19)6-10(7-13(17)20)23-9-16(24)21-18(23)25/h4-8H,9H2,1-3H3,(H,21,24,25)
InChIKeyYHYIIOXBRQUKPN-UHFFFAOYSA-N
XLogP3.10
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dichlorophenyl]imidazolidine-2,4-dione
CID 24785831
1-(3-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
CID 112724158
1-[3,5-dichloro-4-(3-ethyl-4-hydroxyphenoxy)phenyl]imidazolidine-2,4-dione
CID 24784811
1-[3,5-dichloro-4-(4-hydroxy-3-phenylphenoxy)phenyl]imidazolidine-2,4-dione
CID 24785559
1-[3,5-dichloro-4-[3-(4-chlorobenzoyl)-4-hydroxyphenoxy]phenyl]imidazolidine-2,4-dione
CID 24785048
1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
1-(2-chloro-5-methoxyphenyl)imidazolidine-2,4-dione
CID 79777385
2-[3,5-dichloro-4-[3-(4,4-difluoropiperidin-1-yl)sulfonyl-4-methoxyphenoxy]phenyl]-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
CID 170251609
5-(2,6-dichloro-4-nitrophenoxy)-2-methoxybenzenesulfonyl chloride
CID 15541442
5-bromo-1,3-dichloro-2-(4-methoxy-3-methylsulfonylphenoxy)benzene;5-(4-bromo-2,6-dichlorophenoxy)-2-methoxybenzenesulfonyl chloride
CID 162198444
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
2-[4-(3-amino-4-methoxyphenoxy)-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 22339553

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 24786094) is 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is YHYIIOXBRQUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O6S/c1-22(2)30(26,27)15-8-11(4-5-14(15)28-3)29-17-12(19)6-10(7-13(17)20)23-9-16(24)21-18(23)25/h4-8H,9H2,1-3H3,(H,21,24,25).
What are the key properties of 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 474.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24786094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).