1-butylsulfonyl-6-pyridin-4-ylindole

C17H18N2O2S — CID 162653138

IUPAC1-butylsulfonyl-6-pyridin-4-ylindole
SMILESCCCCS(=O)(=O)n1ccc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H18N2O2S/c1-2-3-12-22(20,21)19-11-8-15-4-5-16(13-17(15)19)14-6-9-18-10-7-14/h4-11,13H,2-3,12H2,1H3
InChIKeyGODNOWAVHBZXLQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.68
Rot. Bonds5

About 1-butylsulfonyl-6-pyridin-4-ylindole

1-butylsulfonyl-6-pyridin-4-ylindole (PubChem CID 162653138) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-butylsulfonyl-6-pyridin-4-ylindole.

Molecular Properties

Compound Name1-butylsulfonyl-6-pyridin-4-ylindole
PubChem CID162653138
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-butylsulfonyl-6-pyridin-4-ylindole
SMILESCCCCS(=O)(=O)n1ccc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C17H18N2O2S/c1-2-3-12-22(20,21)19-11-8-15-4-5-16(13-17(15)19)14-6-9-18-10-7-14/h4-11,13H,2-3,12H2,1H3
InChIKeyGODNOWAVHBZXLQ-UHFFFAOYSA-N
XLogP3.68
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-6-pyridin-4-ylindole?
The IUPAC name of 1-butylsulfonyl-6-pyridin-4-ylindole (CID 162653138) is 1-butylsulfonyl-6-pyridin-4-ylindole.
What is the SMILES notation for 1-butylsulfonyl-6-pyridin-4-ylindole?
The canonical SMILES for 1-butylsulfonyl-6-pyridin-4-ylindole is CCCCS(=O)(=O)n1ccc2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-butylsulfonyl-6-pyridin-4-ylindole?
The InChIKey is GODNOWAVHBZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-3-12-22(20,21)19-11-8-15-4-5-16(13-17(15)19)14-6-9-18-10-7-14/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 1-butylsulfonyl-6-pyridin-4-ylindole?
1-butylsulfonyl-6-pyridin-4-ylindole has a molecular weight of 314.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-6-pyridin-4-ylindole is sourced from PubChem (CID 162653138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).