(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine

C24H26N2O4S2 — CID 1036909

IUPAC(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)c(C)c1
InChIInChI=1S/C24H26N2O4S2/c1-18-16-19(2)23(20(3)17-18)32(29,30)26-15-14-25(24(26)21-10-6-4-7-11-21)31(27,28)22-12-8-5-9-13-22/h4-13,16-17,24H,14-15H2,1-3H3/t24-/m0/s1
InChIKeyWQMDDCNAYUWQRZ-DEOSSOPVSA-N
MW470.62 g/mol
LogP4.01
Rot. Bonds5

About (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine

(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine (PubChem CID 1036909) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
PubChem CID1036909
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)c(C)c1
InChIInChI=1S/C24H26N2O4S2/c1-18-16-19(2)23(20(3)17-18)32(29,30)26-15-14-25(24(26)21-10-6-4-7-11-21)31(27,28)22-12-8-5-9-13-22/h4-13,16-17,24H,14-15H2,1-3H3/t24-/m0/s1
InChIKeyWQMDDCNAYUWQRZ-DEOSSOPVSA-N
XLogP4.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2,3-diphenyl-1,4-bis[(2,4,6-trimethylphenyl)sulfonyl]-1,4-diazepan-6-one
CID 11093403
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(benzenesulfonyl)-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 78851954
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
2,2,2-trifluoro-1-[(2R)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone
CID 7355221
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine?
The IUPAC name of (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine (CID 1036909) is (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine is Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)c(C)c1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine?
The InChIKey is WQMDDCNAYUWQRZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-18-16-19(2)23(20(3)17-18)32(29,30)26-15-14-25(24(26)21-10-6-4-7-11-21)31(27,28)22-12-8-5-9-13-22/h4-13,16-17,24H,14-15H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine?
(2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine has a molecular weight of 470.62 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-2-phenyl-3-(2,4,6-trimethylphenyl)sulfonylimidazolidine is sourced from PubChem (CID 1036909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).