2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole

C10H11N3O4S — CID 3846301

IUPAC2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4S/c1-8-11-6-7-12(8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-5H,6-7H2,1H3
InChIKeyHFZAOPGZWSISIF-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.02
Rot. Bonds3

About 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole

2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 3846301) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID3846301
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4S/c1-8-11-6-7-12(8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-5H,6-7H2,1H3
InChIKeyHFZAOPGZWSISIF-UHFFFAOYSA-N
XLogP1.02
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.02
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

N,N-dimethyl-2-nitrobenzenesulfonamide
CID 745198
(NZ)-N-(5-tert-butyl-3,4-dimethyl-thiazol-2-ylidene)-2-nitro-benzenesulfonamide
CID 9567719
1-Ethyl-5-methyl-pyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 462245
1-((2-chloro-5-nitrophenyl)sulfonyl)-2-methyl-4,5-dihydro-1H-imidazole
CID 2921708
1-(Methylsulfonyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
CID 719619
2-methyl-1-[(3-nitrophenyl)sulfonyl]-4,5-dihydro-1H-imidazole
CID 2920716
N-butyl-N-ethyl-2-nitrobenzenesulfonamide
CID 2163971
1,1-dimethyl-2-[(E)-N'-(2-nitrophenyl)sulfonylcarbamimidoyl]guanidine
CID 118714594
1-Methyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 768225
1-Ethyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1537226
Benzenesulfonamide, N,N-bis(2-methylpropyl)-2-nitro-
CID 604077
2-Methylsulfanyl-1-(4-nitrophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole (CID 3846301) is 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole is CC1=NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is HFZAOPGZWSISIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-8-11-6-7-12(8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole?
2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 269.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-nitrophenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 3846301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).