[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone

C20H20N4O3S2 — CID 3235633

IUPAC[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21
InChIInChI=1S/C20H20N4O3S2/c25-20(24-12-10-14-5-1-2-8-17(14)24)15-6-4-11-23(13-15)29(26,27)18-9-3-7-16-19(18)22-28-21-16/h1-3,5,7-9,15H,4,6,10-13H2
InChIKeyUERFTSSINPQVDF-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.68
Rot. Bonds3

About [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone

[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 3235633) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID3235633
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21
InChIInChI=1S/C20H20N4O3S2/c25-20(24-12-10-14-5-1-2-8-17(14)24)15-6-4-11-23(13-15)29(26,27)18-9-3-7-16-19(18)22-28-21-16/h1-3,5,7-9,15H,4,6,10-13H2
InChIKeyUERFTSSINPQVDF-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone (CID 3235633) is [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCc2ccccc21.
What is the InChIKey of [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UERFTSSINPQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-20(24-12-10-14-5-1-2-8-17(14)24)15-6-4-11-23(13-15)29(26,27)18-9-3-7-16-19(18)22-28-21-16/h1-3,5,7-9,15H,4,6,10-13H2.
What are the key properties of [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 428.54 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3235633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).