1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole

C26H19NO2S — CID 11154089

IUPAC1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(/C=C\c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C26H19NO2S/c28-30(29,25-8-2-1-3-9-25)27-17-16-24-19-21(13-15-26(24)27)11-10-20-12-14-22-6-4-5-7-23(22)18-20/h1-19H/b11-10-
InChIKeyIONXNKVJTJHEST-KHPPLWFESA-N
MW409.51 g/mol
LogP6.20
Rot. Bonds4

About 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole

1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole (PubChem CID 11154089) has the molecular formula C26H19NO2S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole
PubChem CID11154089
Molecular FormulaC26H19NO2S
Molecular Weight409.51 g/mol
Exact Mass409.11
IUPAC Name1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(/C=C\c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C26H19NO2S/c28-30(29,25-8-2-1-3-9-25)27-17-16-24-19-21(13-15-26(24)27)11-10-20-12-14-22-6-4-5-7-23(22)18-20/h1-19H/b11-10-
InChIKeyIONXNKVJTJHEST-KHPPLWFESA-N
XLogP6.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole?
The IUPAC name of 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole (CID 11154089) is 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole is O=S(=O)(c1ccccc1)n1ccc2cc(/C=C\c3ccc4ccccc4c3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole?
The InChIKey is IONXNKVJTJHEST-KHPPLWFESA-N. The full InChI is InChI=1S/C26H19NO2S/c28-30(29,25-8-2-1-3-9-25)27-17-16-24-19-21(13-15-26(24)27)11-10-20-12-14-22-6-4-5-7-23(22)18-20/h1-19H/b11-10-.
What are the key properties of 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole?
1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole has a molecular weight of 409.51 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-[(Z)-2-naphthalen-2-ylethenyl]indole is sourced from PubChem (CID 11154089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).