4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline

C25H29N3O4S2 — CID 17371195

IUPAC4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-10-16-24(17-11-19)33(29,30)27-18-20(2)28(34(31,32)23-8-6-5-7-9-23)25(27)21-12-14-22(15-13-21)26(3)4/h5-17,20,25H,18H2,1-4H3
InChIKeyPKNQQRGWNIHGLG-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.84
Rot. Bonds6

About 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline

4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline (PubChem CID 17371195) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
PubChem CID17371195
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-19-10-16-24(17-11-19)33(29,30)27-18-20(2)28(34(31,32)23-8-6-5-7-9-23)25(27)21-12-14-22(15-13-21)26(3)4/h5-17,20,25H,18H2,1-4H3
InChIKeyPKNQQRGWNIHGLG-UHFFFAOYSA-N
XLogP3.84
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402
(NE)-N-[1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500087
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
CID 17371182
1-[2-[4-(diethylamino)phenyl]-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 17371198
1-(benzenesulfonyl)-5-(4-methylphenyl)pyrrolidin-3-one
CID 102590772
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
CID 17371171
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
CID 29057081

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline (CID 17371195) is 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline is Cc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline?
The InChIKey is PKNQQRGWNIHGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-19-10-16-24(17-11-19)33(29,30)27-18-20(2)28(34(31,32)23-8-6-5-7-9-23)25(27)21-12-14-22(15-13-21)26(3)4/h5-17,20,25H,18H2,1-4H3.
What are the key properties of 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline?
4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline has a molecular weight of 499.66 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 17371195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).