[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone

C20H14N2O3S — CID 986167

IUPAC[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14H
InChIKeyNVYQNUQYALZZJN-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.50
Rot. Bonds4

About [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone

[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone (PubChem CID 986167) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone
PubChem CID986167
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14H
InChIKeyNVYQNUQYALZZJN-UHFFFAOYSA-N
XLogP3.50
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone (CID 986167) is [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone?
The InChIKey is NVYQNUQYALZZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14H.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone?
[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone has a molecular weight of 362.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 986167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).