(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine

C17H19N3O6S2 — CID 28887605

IUPAC(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1
InChIInChI=1S/C17H19N3O6S2/c1-13-7-9-15(10-8-13)27(23,24)18-11-14(2)19(12-18)28(25,26)17-6-4-3-5-16(17)20(21)22/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyMVPJYEFSYBEKKG-CQSZACIVSA-N
MW425.49 g/mol
LogP1.94
Rot. Bonds5

About (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine

(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine (PubChem CID 28887605) has the molecular formula C17H19N3O6S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine
PubChem CID28887605
Molecular FormulaC17H19N3O6S2
Molecular Weight425.49 g/mol
Exact Mass425.07
IUPAC Name(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1
InChIInChI=1S/C17H19N3O6S2/c1-13-7-9-15(10-8-13)27(23,24)18-11-14(2)19(12-18)28(25,26)17-6-4-3-5-16(17)20(21)22/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyMVPJYEFSYBEKKG-CQSZACIVSA-N
XLogP1.94
TPSA117.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 51856140
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
tert-butyl (2S)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)butanoate
CID 138659849
benzyl (2R)-2-methyl-4-(2-nitrophenyl)sulfonylpiperazine-1-carboxylate
CID 10669747
3-methyl-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119981791
(3S,6S)-3,6-dibenzyl-1-[(4-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazin-2-one
CID 15474437
3-methyl-2-(2-nitrophenyl)sulfonyl-2-azaspiro[4.5]decane
CID 177419230
1-(2-nitrophenyl)sulfonyl-2,6-dihydropyridin-3-one
CID 118190643
tert-butyl (2S)-2-[(3S,5S)-3,5-dimethyl-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propanoate
CID 126559753
(2R)-2-methyl-1-(2-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 162393948
[4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidin-3-yl]carbamic acid
CID 118024625

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine?
The IUPAC name of (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine (CID 28887605) is (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine.
What is the SMILES notation for (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine?
The canonical SMILES for (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine is Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1.
What is the InChIKey of (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine?
The InChIKey is MVPJYEFSYBEKKG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O6S2/c1-13-7-9-15(10-8-13)27(23,24)18-11-14(2)19(12-18)28(25,26)17-6-4-3-5-16(17)20(21)22/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine?
(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine has a molecular weight of 425.49 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine is sourced from PubChem (CID 28887605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).