[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C24H24N4O3S — CID 3522807

IUPAC[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O3S/c29-24(27-16-14-26(15-17-27)23-10-3-4-12-25-23)20-7-5-8-21(18-20)32(30,31)28-13-11-19-6-1-2-9-22(19)28/h1-10,12,18H,11,13-17H2
InChIKeyDNYOWORTIJGFOF-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.80
Rot. Bonds4

About [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3522807) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3522807
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O3S/c29-24(27-16-14-26(15-17-27)23-10-3-4-12-25-23)20-7-5-8-21(18-20)32(30,31)28-13-11-19-6-1-2-9-22(19)28/h1-10,12,18H,11,13-17H2
InChIKeyDNYOWORTIJGFOF-UHFFFAOYSA-N
XLogP2.80
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ipsapirone
CID 56971
Revospirone
CID 72024
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 16194458
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509676
1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
CID 73057087
5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 73056761
1-[5-[4-[4-(Trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 172123487
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 990951
1-ethyl-N-(3-methylpyridin-2-yl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1235115

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3522807) is [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DNYOWORTIJGFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-24(27-16-14-26(15-17-27)23-10-3-4-12-25-23)20-7-5-8-21(18-20)32(30,31)28-13-11-19-6-1-2-9-22(19)28/h1-10,12,18H,11,13-17H2.
What are the key properties of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 448.55 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).