3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

C24H28N2O4S2 — CID 102578903

IUPAC3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCC1=C(C2=C(C)CN(S(=O)(=O)c3ccc(C)cc3)C2)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H28N2O4S2/c1-17-5-9-21(10-6-17)31(27,28)25-13-19(3)23(15-25)24-16-26(14-20(24)4)32(29,30)22-11-7-18(2)8-12-22/h5-12H,13-16H2,1-4H3
InChIKeyYGLCIUPIMDMHRN-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.65
Rot. Bonds5

About 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 102578903) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID102578903
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCC1=C(C2=C(C)CN(S(=O)(=O)c3ccc(C)cc3)C2)CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H28N2O4S2/c1-17-5-9-21(10-6-17)31(27,28)25-13-19(3)23(15-25)24-16-26(14-20(24)4)32(29,30)22-11-7-18(2)8-12-22/h5-12H,13-16H2,1-4H3
InChIKeyYGLCIUPIMDMHRN-UHFFFAOYSA-N
XLogP3.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
1-[5-methyl-3-(4-methylphenyl)sulfonylspiro[3-azabicyclo[4.2.0]octa-1(8),5-diene-7,1'-cyclopropane]-8-yl]ethanone
CID 132582984
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
6-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydrooxepino[3,4-c]pyrrole
CID 102350499
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
(1S,2S)-4,9,14-tris-(4-methylphenyl)sulfonyl-4,9,14-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-6,11-diene
CID 102258481
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole (CID 102578903) is 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is CC1=C(C2=C(C)CN(S(=O)(=O)c3ccc(C)cc3)C2)CN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is YGLCIUPIMDMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-17-5-9-21(10-6-17)31(27,28)25-13-19(3)23(15-25)24-16-26(14-20(24)4)32(29,30)22-11-7-18(2)8-12-22/h5-12H,13-16H2,1-4H3.
What are the key properties of 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole?
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 472.63 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 102578903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).