1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole

C30H25NO3S — CID 139067948

IUPAC1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole
SMILESCOc1ccc(/C(=C/c2ccccc2)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C30H25NO3S/c1-22-30(28(21-23-11-5-3-6-12-23)24-17-19-25(34-2)20-18-24)27-15-9-10-16-29(27)31(22)35(32,33)26-13-7-4-8-14-26/h3-21H,1-2H3/b28-21-
InChIKeyVAEQXTYFEJYPAZ-HFTWOUSFSA-N
MW479.60 g/mol
LogP6.78
Rot. Bonds6

About 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole

1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole (PubChem CID 139067948) has the molecular formula C30H25NO3S and a molecular weight of 479.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole
PubChem CID139067948
Molecular FormulaC30H25NO3S
Molecular Weight479.60 g/mol
Exact Mass479.16
IUPAC Name1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole
SMILESCOc1ccc(/C(=C/c2ccccc2)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C30H25NO3S/c1-22-30(28(21-23-11-5-3-6-12-23)24-17-19-25(34-2)20-18-24)27-15-9-10-16-29(27)31(22)35(32,33)26-13-7-4-8-14-26/h3-21H,1-2H3/b28-21-
InChIKeyVAEQXTYFEJYPAZ-HFTWOUSFSA-N
XLogP6.78
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-(1,2-dimethylindol-3-yl)-2-phenylethenyl]-4-methoxybenzenesulfonamide
CID 132514627
ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
CID 10937613
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
1-[1-(4-methoxyphenyl)sulfonyl-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
CID 69407821
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
CID 25228635
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
methyl 2-[1-(benzenesulfonyl)-3-[2-formyl-1-[(4-methoxyphenyl)methyl]indole-3-carbonyl]indol-2-yl]acetate
CID 102383996
[1-(benzenesulfonyl)-2-methylindol-3-yl]-[4-(4,5-dimethoxy-2-nitrophenyl)-1H-pyrrol-3-yl]methanone
CID 25223014
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
CID 102573293

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole?
The IUPAC name of 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole (CID 139067948) is 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole is COc1ccc(/C(=C/c2ccccc2)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole?
The InChIKey is VAEQXTYFEJYPAZ-HFTWOUSFSA-N. The full InChI is InChI=1S/C30H25NO3S/c1-22-30(28(21-23-11-5-3-6-12-23)24-17-19-25(34-2)20-18-24)27-15-9-10-16-29(27)31(22)35(32,33)26-13-7-4-8-14-26/h3-21H,1-2H3/b28-21-.
What are the key properties of 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole?
1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole has a molecular weight of 479.60 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole is sourced from PubChem (CID 139067948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).