1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one

C16H10ClN3O6S — CID 8593869

IUPAC1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
SMILESO=C(c1ccc([N+](=O)[O-])cc1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10ClN3O6S/c17-12-3-7-14(8-4-12)27(25,26)19-10-9-18(16(19)22)15(21)11-1-5-13(6-2-11)20(23)24/h1-10H
InChIKeyGBPGLQLJMGUKDT-UHFFFAOYSA-N
MW407.79 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one

1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one (PubChem CID 8593869) has the molecular formula C16H10ClN3O6S and a molecular weight of 407.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
PubChem CID8593869
Molecular FormulaC16H10ClN3O6S
Molecular Weight407.79 g/mol
Exact Mass407.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
SMILESO=C(c1ccc([N+](=O)[O-])cc1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10ClN3O6S/c17-12-3-7-14(8-4-12)27(25,26)19-10-9-18(16(19)22)15(21)11-1-5-13(6-2-11)20(23)24/h1-10H
InChIKeyGBPGLQLJMGUKDT-UHFFFAOYSA-N
XLogP2.14
TPSA121.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.79
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593863
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
CID 8593825
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
CID 70381437
CID 70381437
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
(4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone
CID 5073282
1-chloro-4-nitrobenzene;ethane
CID 90737802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one (CID 8593869) is 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one is O=C(c1ccc([N+](=O)[O-])cc1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one?
The InChIKey is GBPGLQLJMGUKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O6S/c17-12-3-7-14(8-4-12)27(25,26)19-10-9-18(16(19)22)15(21)11-1-5-13(6-2-11)20(23)24/h1-10H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one has a molecular weight of 407.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one is sourced from PubChem (CID 8593869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).