3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide

C22H21N3O3S — CID 2578261

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H21N3O3S/c26-22(24-14-11-19-8-3-4-13-23-19)18-7-5-9-20(16-18)29(27,28)25-15-12-17-6-1-2-10-21(17)25/h1-10,13,16H,11-12,14-15H2,(H,24,26)
InChIKeyANWWWIFAIKKRMO-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.81
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 2578261) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID2578261
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H21N3O3S/c26-22(24-14-11-19-8-3-4-13-23-19)18-7-5-9-20(16-18)29(27,28)25-15-12-17-6-1-2-10-21(17)25/h1-10,13,16H,11-12,14-15H2,(H,24,26)
InChIKeyANWWWIFAIKKRMO-UHFFFAOYSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide (CID 2578261) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is ANWWWIFAIKKRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-22(24-14-11-19-8-3-4-13-23-19)18-7-5-9-20(16-18)29(27,28)25-15-12-17-6-1-2-10-21(17)25/h1-10,13,16H,11-12,14-15H2,(H,24,26).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 2578261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).