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

C10H10ClN3O4S — CID 2921708

IUPAC1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H10ClN3O4S/c1-7-12-4-5-13(7)19(17,18)10-6-8(14(15)16)2-3-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyJVGFIZNSVBEDGK-UHFFFAOYSA-N
MW303.73 g/mol
LogP1.67
Rot. Bonds3

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

1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (PubChem CID 2921708) has the molecular formula C10H10ClN3O4S and a molecular weight of 303.73 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
PubChem CID2921708
Molecular FormulaC10H10ClN3O4S
Molecular Weight303.73 g/mol
Exact Mass303.01
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole
SMILESCC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H10ClN3O4S/c1-7-12-4-5-13(7)19(17,18)10-6-8(14(15)16)2-3-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyJVGFIZNSVBEDGK-UHFFFAOYSA-N
XLogP1.67
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 51.67
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

2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-nitrobenzenesulfonamide
CID 4518078
2-methyl-1-[(2-nitrophenyl)sulfonyl]-4,5-dihydro-1H-imidazole
CID 3846301
1-({2-Chloro-5-nitrophenyl}sulfonyl)azepane
CID 7738112
1-Chloro-2-[(4-methylpiperazinyl)sulfonyl]-4-nitrobenzene
CID 3126365
2-Chloro-N,N-dimethyl-5-nitrobenzene-1-sulfonamide
CID 20105580
2-methyl-1-[(3-nitrophenyl)sulfonyl]-4,5-dihydro-1H-imidazole
CID 2920716
2-chloro-5-nitro-N-(2-pyrrolidinylidene)benzenesulfonamide
CID 3565057
N'-(2-chloro-4-fluoro-5-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 13045543
N'-(2-chloro-4-fluoro-5-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 70609113
1-(2-Chloro-5-nitrophenyl)sulfonylpiperidine
CID 3102694
2-chloro-N,N-diethyl-5-nitrobenzene-1-sulfonamide
CID 5019416
2-chloro-N-ethyl-5-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61072304

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole (CID 2921708) is 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is CC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
The InChIKey is JVGFIZNSVBEDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S/c1-7-12-4-5-13(7)19(17,18)10-6-8(14(15)16)2-3-9(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole?
1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole has a molecular weight of 303.73 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonyl-2-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 2921708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).