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

C21H21Cl2N3O6S — CID 24785046

IUPACN-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C21H21Cl2N3O6S/c22-15-8-13(26-11-19(28)24-21(26)29)9-16(23)20(15)32-14-6-7-17(27)18(10-14)33(30,31)25-12-4-2-1-3-5-12/h6-10,12,25,27H,1-5,11H2,(H,24,28,29)
InChIKeyDOEVXTWAOKTDLF-UHFFFAOYSA-N
MW514.39 g/mol
LogP4.16
Rot. Bonds6

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

N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide (PubChem CID 24785046) has the molecular formula C21H21Cl2N3O6S and a molecular weight of 514.39 g/mol. Its IUPAC name is N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide
PubChem CID24785046
Molecular FormulaC21H21Cl2N3O6S
Molecular Weight514.39 g/mol
Exact Mass513.05
IUPAC NameN-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide
SMILESO=C1CN(c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)C(=O)N1
InChIInChI=1S/C21H21Cl2N3O6S/c22-15-8-13(26-11-19(28)24-21(26)29)9-16(23)20(15)32-14-6-7-17(27)18(10-14)33(30,31)25-12-4-2-1-3-5-12/h6-10,12,25,27H,1-5,11H2,(H,24,28,29)
InChIKeyDOEVXTWAOKTDLF-UHFFFAOYSA-N
XLogP4.16
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.39
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide (CID 24785046) is N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide is O=C1CN(c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)C(=O)N1.
What is the InChIKey of N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide?
The InChIKey is DOEVXTWAOKTDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O6S/c22-15-8-13(26-11-19(28)24-21(26)29)9-16(23)20(15)32-14-6-7-17(27)18(10-14)33(30,31)25-12-4-2-1-3-5-12/h6-10,12,25,27H,1-5,11H2,(H,24,28,29).
What are the key properties of N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide?
N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide has a molecular weight of 514.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2,6-dichloro-4-(2,4-dioxoimidazolidin-1-yl)phenoxy]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 24785046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).