1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

C19H22N4O3S — CID 39010181

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O3S/c24-19(23-9-7-16-4-1-2-6-18(16)23)15-21-10-12-22(13-11-21)27(25,26)17-5-3-8-20-14-17/h1-6,8,14H,7,9-13,15H2
InChIKeyKRLJDUYYZJLFKU-UHFFFAOYSA-N
MW386.48 g/mol
LogP0.98
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 39010181) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID39010181
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H22N4O3S/c24-19(23-9-7-16-4-1-2-6-18(16)23)15-21-10-12-22(13-11-21)27(25,26)17-5-3-8-20-14-17/h1-6,8,14H,7,9-13,15H2
InChIKeyKRLJDUYYZJLFKU-UHFFFAOYSA-N
XLogP0.98
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
1-(2,3-dihydroindol-1-yl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 4818752
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31345891
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 9104888
N-(2-methylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39010289
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78896837
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone (CID 39010181) is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone is O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is KRLJDUYYZJLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-19(23-9-7-16-4-1-2-6-18(16)23)15-21-10-12-22(13-11-21)27(25,26)17-5-3-8-20-14-17/h1-6,8,14H,7,9-13,15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 386.48 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 39010181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).