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

C16H10ClN3O6S — CID 8593868

IUPAC1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
SMILESO=C(c1cccc([N+](=O)[O-])c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10ClN3O6S/c17-12-4-6-14(7-5-12)27(25,26)19-9-8-18(16(19)22)15(21)11-2-1-3-13(10-11)20(23)24/h1-10H
InChIKeyRZIPLCVVWJDYEZ-UHFFFAOYSA-N
MW407.79 g/mol
LogP2.14
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one (PubChem CID 8593868) has the molecular formula C16H10ClN3O6S and a molecular weight of 407.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
PubChem CID8593868
Molecular FormulaC16H10ClN3O6S
Molecular Weight407.79 g/mol
Exact Mass407.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
SMILESO=C(c1cccc([N+](=O)[O-])c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10ClN3O6S/c17-12-4-6-14(7-5-12)27(25,26)19-9-8-18(16(19)22)15(21)11-2-1-3-13(10-11)20(23)24/h1-10H
InChIKeyRZIPLCVVWJDYEZ-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-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
CID 3445302
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone
CID 26204373
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone
CID 4828680
4-chlorobenzenesulfonic acid;3-nitrobenzenesulfonic acid
CID 88780648
2-(4-chlorophenyl)sulfanyl-1-(3-nitrophenyl)ethanone
CID 43219969
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
CID 4546523
1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)methyl]imidazol-2-one
CID 8594079
[amino-(3-nitrophenyl)methylidene]-(4-chlorophenyl)sulfonyloxyazanium
CID 6348260
3-nitrobenzoyl iodide
CID 87511250

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one (CID 8593868) is 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one is O=C(c1cccc([N+](=O)[O-])c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one?
The InChIKey is RZIPLCVVWJDYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O6S/c17-12-4-6-14(7-5-12)27(25,26)19-9-8-18(16(19)22)15(21)11-2-1-3-13(10-11)20(23)24/h1-10H.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(3-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-(3-nitrobenzoyl)imidazol-2-one is sourced from PubChem (CID 8593868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).