2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene

C23H30O2S — CID 5382407

IUPAC2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)/C=C/c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C23H30O2S/c1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26(24,25)13-12-19-10-8-7-9-11-19/h7-18H,1-6H3/b13-12+
InChIKeyJDCBWDMWRVHKRK-OUKQBFOZSA-N
MW370.56 g/mol
LogP6.50
Rot. Bonds6

About 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene

2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene (PubChem CID 5382407) has the molecular formula C23H30O2S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
PubChem CID5382407
Molecular FormulaC23H30O2S
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)/C=C/c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C23H30O2S/c1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26(24,25)13-12-19-10-8-7-9-11-19/h7-18H,1-6H3/b13-12+
InChIKeyJDCBWDMWRVHKRK-OUKQBFOZSA-N
XLogP6.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 11339354
methyl (E,2E)-4-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfonyliminobut-3-enoate
CID 46863486
2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
CID 102406113
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
N-[(1S)-2-amino-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 90254730
2-(1-phenylsulfanylethyl)-4,6-di(propan-2-yl)benzenesulfonic acid
CID 22895692
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699
(NE,R)-N-benzylidene-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 46177609
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene (CID 5382407) is 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c(S(=O)(=O)/C=C/c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is JDCBWDMWRVHKRK-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H30O2S/c1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26(24,25)13-12-19-10-8-7-9-11-19/h7-18H,1-6H3/b13-12+.
What are the key properties of 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene?
2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 370.56 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 5382407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).