[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone

C18H19N3O5S — CID 2898491

IUPAC[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1
InChIInChI=1S/C18H19N3O5S/c1-13-3-6-15(7-4-13)18(22)19-9-10-20(12-19)27(25,26)16-8-5-14(2)17(11-16)21(23)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFGLMYWWYTYCHNX-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.32
Rot. Bonds4

About [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone

[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 2898491) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID2898491
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1
InChIInChI=1S/C18H19N3O5S/c1-13-3-6-15(7-4-13)18(22)19-9-10-20(12-19)27(25,26)16-8-5-14(2)17(11-16)21(23)24/h3-8,11H,9-10,12H2,1-2H3
InChIKeyFGLMYWWYTYCHNX-UHFFFAOYSA-N
XLogP2.32
TPSA100.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4-Methylphenyl)-[3-(2-nitrophenyl)sulfonylimidazolidin-1-yl]methanone
CID 1354582
3-nitro-N-[2-(pyrrolidin-1-ylcarbonyl)phenyl]benzenesulfonamide
CID 2962812
4-[4-Methyl-1-[2-(3-nitrophenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155542118
4-[4-(2-Nitrobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 156019232
5-Methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 42601234
[3-(4-Methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 2845053
4-methyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 3716029
1-{3-[(4-Methyl-3-nitrophenyl)sulfonyl]-2-(propan-2-yl)imidazolidin-1-yl}ethanone
CID 3328992
4-[(3-Nitrophenyl)sulfonyl]piperazinyl phenyl ketone
CID 571053
1-[(4-Methylphenyl)sulfonyl]-3-(4-nitrobenzoyl)imidazolidine
CID 4611967
4-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 172437512
[2-[4-(Dimethylamino)phenyl]-3-[(4-methylphenyl)sulfonyl]-1-imidazolidinyl](4-methylphenyl)methanone
CID 3405086

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone (CID 2898491) is [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1.
What is the InChIKey of [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is FGLMYWWYTYCHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-13-3-6-15(7-4-13)18(22)19-9-10-20(12-19)27(25,26)16-8-5-14(2)17(11-16)21(23)24/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone?
[3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 389.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 2898491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).