(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine

C17H18N2O4S — CID 51856140

IUPAC(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4S/c1-13-8-10-14(11-9-13)15-6-4-12-18(15)24(22,23)17-7-3-2-5-16(17)19(20)21/h2-3,5,7-11,15H,4,6,12H2,1H3/t15-/m1/s1
InChIKeyXQJCDQNHINTAIV-OAHLLOKOSA-N
MW346.41 g/mol
LogP3.43
Rot. Bonds4

About (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine

(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine (PubChem CID 51856140) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
PubChem CID51856140
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
SMILESCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4S/c1-13-8-10-14(11-9-13)15-6-4-12-18(15)24(22,23)17-7-3-2-5-16(17)19(20)21/h2-3,5,7-11,15H,4,6,12H2,1H3/t15-/m1/s1
InChIKeyXQJCDQNHINTAIV-OAHLLOKOSA-N
XLogP3.43
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-(3-methylphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 95079015
(2R)-2-(4-methoxyphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 26545104
(2S)-2-(5-methylfuran-2-yl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 125130143
1-(2-methyl-5-nitrophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 55556292
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
5-ethyl-3-methyl-4-[(2S)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877930
1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
3-[(2R)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877793
(2S)-1-(2-nitrophenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502849
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
3-[1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 46366338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine (CID 51856140) is (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine is Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
The InChIKey is XQJCDQNHINTAIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-13-8-10-14(11-9-13)15-6-4-12-18(15)24(22,23)17-7-3-2-5-16(17)19(20)21/h2-3,5,7-11,15H,4,6,12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine?
(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine has a molecular weight of 346.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).