6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde

C20H19BrN2O5S — CID 118173777

IUPAC6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(Br)cc32)cc1N1CCOCC1
InChIInChI=1S/C20H19BrN2O5S/c1-27-20-5-3-16(11-19(20)22-6-8-28-9-7-22)29(25,26)23-12-14(13-24)17-4-2-15(21)10-18(17)23/h2-5,10-13H,6-9H2,1H3
InChIKeyAUFHMVDFXLTNHT-UHFFFAOYSA-N
MW479.35 g/mol
LogP3.30
Rot. Bonds5

About 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde

6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde (PubChem CID 118173777) has the molecular formula C20H19BrN2O5S and a molecular weight of 479.35 g/mol. Its IUPAC name is 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde
PubChem CID118173777
Molecular FormulaC20H19BrN2O5S
Molecular Weight479.35 g/mol
Exact Mass478.02
IUPAC Name6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde
SMILESCOc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(Br)cc32)cc1N1CCOCC1
InChIInChI=1S/C20H19BrN2O5S/c1-27-20-5-3-16(11-19(20)22-6-8-28-9-7-22)29(25,26)23-12-14(13-24)17-4-2-15(21)10-18(17)23/h2-5,10-13H,6-9H2,1H3
InChIKeyAUFHMVDFXLTNHT-UHFFFAOYSA-N
XLogP3.30
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520136
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
CID 118181432
3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
CID 122520140
3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87179756
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-4-ylphenyl)sulfonylindole
CID 118181457
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405
CID 88938881
CID 88938881
2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378699
2,2,2-trifluoro-1-[4-[5-[6-fluoro-3-(methoxymethyl)indol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506174

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde?
The IUPAC name of 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde (CID 118173777) is 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde?
The canonical SMILES for 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde is COc1ccc(S(=O)(=O)n2cc(C=O)c3ccc(Br)cc32)cc1N1CCOCC1.
What is the InChIKey of 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde?
The InChIKey is AUFHMVDFXLTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O5S/c1-27-20-5-3-16(11-19(20)22-6-8-28-9-7-22)29(25,26)23-12-14(13-24)17-4-2-15(21)10-18(17)23/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde?
6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde has a molecular weight of 479.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 118173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).