N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide

C12H16N2O3S — CID 8505533

IUPACN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O3S/c1-2-12(15)13-14-18(16,17)11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,2-5H2,1H3,(H,13,15)
InChIKeyZYSQDUAENWATSP-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.89
Rot. Bonds4

About N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide (PubChem CID 8505533) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
PubChem CID8505533
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O3S/c1-2-12(15)13-14-18(16,17)11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,2-5H2,1H3,(H,13,15)
InChIKeyZYSQDUAENWATSP-UHFFFAOYSA-N
XLogP0.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide (CID 8505533) is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide is CCC(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide?
The InChIKey is ZYSQDUAENWATSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-12(15)13-14-18(16,17)11-7-6-9-4-3-5-10(9)8-11/h6-8,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide?
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide has a molecular weight of 268.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide is sourced from PubChem (CID 8505533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).