1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole

C19H19NO4S — CID 10247752

IUPAC1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(CCC3OCCO3)cccc21
InChIInChI=1S/C19H19NO4S/c21-25(22,16-6-2-1-3-7-16)20-12-11-17-15(5-4-8-18(17)20)9-10-19-23-13-14-24-19/h1-8,11-12,19H,9-10,13-14H2
InChIKeyFGNAWBQNHWAUDT-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.18
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole

1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole (PubChem CID 10247752) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole
PubChem CID10247752
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(CCC3OCCO3)cccc21
InChIInChI=1S/C19H19NO4S/c21-25(22,16-6-2-1-3-7-16)20-12-11-17-15(5-4-8-18(17)20)9-10-19-23-13-14-24-19/h1-8,11-12,19H,9-10,13-14H2
InChIKeyFGNAWBQNHWAUDT-UHFFFAOYSA-N
XLogP3.18
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole?
The IUPAC name of 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole (CID 10247752) is 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole is O=S(=O)(c1ccccc1)n1ccc2c(CCC3OCCO3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole?
The InChIKey is FGNAWBQNHWAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-25(22,16-6-2-1-3-7-16)20-12-11-17-15(5-4-8-18(17)20)9-10-19-23-13-14-24-19/h1-8,11-12,19H,9-10,13-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole?
1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole has a molecular weight of 357.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]indole is sourced from PubChem (CID 10247752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).