molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione

C12H15N3O4S — CID 156842363

IUPACmolecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCNCC3)cc2C1=O.[H][H]
InChIInChI=1S/C12H13N3O4S.H2/c16-11-9-7-8(1-2-10(9)14-12(11)17)20(18,19)15-5-3-13-4-6-15;/h1-2,7,13H,3-6H2,(H,14,16,17);1H
InChIKeyWHSOQZBZZAVNPK-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.34
Rot. Bonds2

About molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione

molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione (PubChem CID 156842363) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Namemolecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
PubChem CID156842363
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Namemolecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCNCC3)cc2C1=O.[H][H]
InChIInChI=1S/C12H13N3O4S.H2/c16-11-9-7-8(1-2-10(9)14-12(11)17)20(18,19)15-5-3-13-4-6-15;/h1-2,7,13H,3-6H2,(H,14,16,17);1H
InChIKeyWHSOQZBZZAVNPK-UHFFFAOYSA-N
XLogP-0.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione;2,2,2-trifluoroacetic acid
CID 175455244
3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
5-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455262
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455268
5-[4-[(E)-3-(3-bromophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455247
5-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]sulfonyl-1H-indole-2,3-dione
CID 175455542
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one;molecular hydrogen
CID 163372216
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione?
The IUPAC name of molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione (CID 156842363) is molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione?
The canonical SMILES for molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CCNCC3)cc2C1=O.[H][H].
What is the InChIKey of molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione?
The InChIKey is WHSOQZBZZAVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S.H2/c16-11-9-7-8(1-2-10(9)14-12(11)17)20(18,19)15-5-3-13-4-6-15;/h1-2,7,13H,3-6H2,(H,14,16,17);1H.
What are the key properties of molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione?
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione has a molecular weight of 297.34 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 156842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).