(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol

C29H25NO4S — CID 102490153

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol
SMILESCOc1ccc(/C=C2\N(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2(O)c2ccccc2)cc1
InChIInChI=1S/C29H25NO4S/c1-21-12-18-25(19-13-21)35(32,33)30-27-11-7-6-10-26(27)29(31,23-8-4-3-5-9-23)28(30)20-22-14-16-24(34-2)17-15-22/h3-20,31H,1-2H3/b28-20-
InChIKeyZLQKJLZDWPIPKE-RRAHZORUSA-N
MW483.59 g/mol
LogP5.49
Rot. Bonds5

About (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol

(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol (PubChem CID 102490153) has the molecular formula C29H25NO4S and a molecular weight of 483.59 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol
PubChem CID102490153
Molecular FormulaC29H25NO4S
Molecular Weight483.59 g/mol
Exact Mass483.15
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol
SMILESCOc1ccc(/C=C2\N(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2(O)c2ccccc2)cc1
InChIInChI=1S/C29H25NO4S/c1-21-12-18-25(19-13-21)35(32,33)30-27-11-7-6-10-26(27)29(31,23-8-4-3-5-9-23)28(30)20-22-14-16-24(34-2)17-15-22/h3-20,31H,1-2H3/b28-20-
InChIKeyZLQKJLZDWPIPKE-RRAHZORUSA-N
XLogP5.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4H-quinoline-3-carbaldehyde
CID 142736390
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
CID 25228635
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
(2Z)-2-[(3R)-1-[(4-methoxyphenyl)methyl]-1'-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-2'-ylidene]acetaldehyde
CID 132603413
1-(4-methoxyphenyl)sulfonyl-4-phenylazepan-4-ol
CID 25192455
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-sulfanyl-2,3-dihydroquinolin-4-one
CID 175074316
(2R,3S,4S)-1'-acetyl-2-(4-methoxybenzoyl)-1-(4-methylphenyl)sulfonyl-4-phenacylspiro[2,4-dihydroquinoline-3,3'-indole]-2'-one
CID 102224830
4-[3-hydroxy-1-(6-methoxynaphthalen-1-yl)-2-oxoindol-3-yl]benzenesulfonamide
CID 171797099

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol (CID 102490153) is (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol is COc1ccc(/C=C2\N(S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2(O)c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol?
The InChIKey is ZLQKJLZDWPIPKE-RRAHZORUSA-N. The full InChI is InChI=1S/C29H25NO4S/c1-21-12-18-25(19-13-21)35(32,33)30-27-11-7-6-10-26(27)29(31,23-8-4-3-5-9-23)28(30)20-22-14-16-24(34-2)17-15-22/h3-20,31H,1-2H3/b28-20-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol?
(2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol has a molecular weight of 483.59 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3-phenylindol-3-ol is sourced from PubChem (CID 102490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).