1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine

C17H20N2O4S2 — CID 3680094

IUPAC1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-8-10-16(11-9-14)25(22,23)19-13-12-18(24(2,20)21)17(19)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3
InChIKeyJMRKYWBFPGUVEA-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine

1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine (PubChem CID 3680094) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine
PubChem CID3680094
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2c2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-8-10-16(11-9-14)25(22,23)19-13-12-18(24(2,20)21)17(19)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3
InChIKeyJMRKYWBFPGUVEA-UHFFFAOYSA-N
XLogP1.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclotriazadisulfonamide
CID 466371
1,3-Bis-(4-methylphenyl)sulfonylimidazolidine
CID 1354623
4-[2-[4-[(4-Methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
CID 157010568
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
CID 3763575
(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CID 32681978
N-benzyl-N-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 51031036
N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 59826001
1-Benzyl-4-[(4-methylphenyl)sulfonyl]piperazine
CID 703908
1,3-Bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
CID 2845056
1-(4-Methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
CID 3237602

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine (CID 3680094) is 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine?
The InChIKey is JMRKYWBFPGUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-14-8-10-16(11-9-14)25(22,23)19-13-12-18(24(2,20)21)17(19)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine?
1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine has a molecular weight of 380.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine is sourced from PubChem (CID 3680094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).