3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide

C20H17N3O3S — CID 24980452

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H17N3O3S/c24-20(22-17-8-11-21-12-9-17)16-5-3-6-18(14-16)27(25,26)23-13-10-15-4-1-2-7-19(15)23/h1-9,11-12,14H,10,13H2,(H,21,22,24)
InChIKeyBQAPAOOOMKOHMO-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.09
Rot. Bonds4

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide (PubChem CID 24980452) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide
PubChem CID24980452
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H17N3O3S/c24-20(22-17-8-11-21-12-9-17)16-5-3-6-18(14-16)27(25,26)23-13-10-15-4-1-2-7-19(15)23/h1-9,11-12,14H,10,13H2,(H,21,22,24)
InChIKeyBQAPAOOOMKOHMO-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.09
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-pyridin-4-ylbenzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide (CID 24980452) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide?
The InChIKey is BQAPAOOOMKOHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(22-17-8-11-21-12-9-17)16-5-3-6-18(14-16)27(25,26)23-13-10-15-4-1-2-7-19(15)23/h1-9,11-12,14H,10,13H2,(H,21,22,24).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-4-ylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 3.09, 4 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-pyridin-4-ylbenzamide is sourced from PubChem (CID 24980452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).