1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde

C22H17NO3S — CID 143599926

IUPAC1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H17NO3S/c24-15-18-14-23(27(25)20-9-5-2-6-10-20)22-12-11-19(13-21(18)22)26-16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyCVDMEVLDRQEKCY-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.60
Rot. Bonds6

About 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde

1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde (PubChem CID 143599926) has the molecular formula C22H17NO3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
PubChem CID143599926
Molecular FormulaC22H17NO3S
Molecular Weight375.45 g/mol
Exact Mass375.09
IUPAC Name1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H17NO3S/c24-15-18-14-23(27(25)20-9-5-2-6-10-20)22-12-11-19(13-21(18)22)26-16-17-7-3-1-4-8-17/h1-15H,16H2
InChIKeyCVDMEVLDRQEKCY-UHFFFAOYSA-N
XLogP4.60
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(benzenesulfinyl)-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
CID 163962741
1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde
CID 19900486
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 134382314
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde?
The IUPAC name of 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde (CID 143599926) is 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde?
The canonical SMILES for 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde is O=Cc1cn(S(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde?
The InChIKey is CVDMEVLDRQEKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3S/c24-15-18-14-23(27(25)20-9-5-2-6-10-20)22-12-11-19(13-21(18)22)26-16-17-7-3-1-4-8-17/h1-15H,16H2.
What are the key properties of 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde?
1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde has a molecular weight of 375.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde is sourced from PubChem (CID 143599926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).