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

C20H17N3O3S — CID 2477308

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H17N3O3S/c24-20(22-17-7-4-11-21-14-17)16-6-3-8-18(13-16)27(25,26)23-12-10-15-5-1-2-9-19(15)23/h1-9,11,13-14H,10,12H2,(H,22,24)
InChIKeyYIKYJEGOUHUWHW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.09
Rot. Bonds4

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide (PubChem CID 2477308) 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-3-ylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
PubChem CID2477308
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H17N3O3S/c24-20(22-17-7-4-11-21-14-17)16-6-3-8-18(13-16)27(25,26)23-12-10-15-5-1-2-9-19(15)23/h1-9,11,13-14H,10,12H2,(H,22,24)
InChIKeyYIKYJEGOUHUWHW-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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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide (CID 2477308) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide?
The InChIKey is YIKYJEGOUHUWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(22-17-7-4-11-21-14-17)16-6-3-8-18(13-16)27(25,26)23-12-10-15-5-1-2-9-19(15)23/h1-9,11,13-14H,10,12H2,(H,22,24).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-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-3-ylbenzamide is sourced from PubChem (CID 2477308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).