(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium

C18H18Cl2N4O5S — CID 17052258

IUPAC(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
SMILESCO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N4O5S/c1-29-21-24(26)12-17(25)22-9-10-23(30(27,28)14-5-3-2-4-6-14)18(22)15-8-7-13(19)11-16(15)20/h2-8,11,18H,9-10,12H2,1H3/b24-21-
InChIKeyUVCNWVPHWRXTAO-FLFQWRMESA-N
MW473.34 g/mol
LogP3.05
Rot. Bonds6

About (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium

(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium (PubChem CID 17052258) has the molecular formula C18H18Cl2N4O5S and a molecular weight of 473.34 g/mol. Its IUPAC name is (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
PubChem CID17052258
Molecular FormulaC18H18Cl2N4O5S
Molecular Weight473.34 g/mol
Exact Mass472.04
IUPAC Name(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
SMILESCO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N4O5S/c1-29-21-24(26)12-17(25)22-9-10-23(30(27,28)14-5-3-2-4-6-14)18(22)15-8-7-13(19)11-16(15)20/h2-8,11,18H,9-10,12H2,1H3/b24-21-
InChIKeyUVCNWVPHWRXTAO-FLFQWRMESA-N
XLogP3.05
TPSA105.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052238
(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052249
(Z)-[2-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052288
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052280
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23945588
(2S)-1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]-2-methylpiperazine
CID 175257353
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 9087034
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527

Frequently Asked Questions

What is the IUPAC name of (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The IUPAC name of (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium (CID 17052258) is (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The canonical SMILES for (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium is CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
The InChIKey is UVCNWVPHWRXTAO-FLFQWRMESA-N. The full InChI is InChI=1S/C18H18Cl2N4O5S/c1-29-21-24(26)12-17(25)22-9-10-23(30(27,28)14-5-3-2-4-6-14)18(22)15-8-7-13(19)11-16(15)20/h2-8,11,18H,9-10,12H2,1H3/b24-21-.
What are the key properties of (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium?
(Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium has a molecular weight of 473.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-[3-(benzenesulfonyl)-2-(2,4-dichlorophenyl)imidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium is sourced from PubChem (CID 17052258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).