3-piperazin-1-ylsulfonylbenzohydrazide

C11H16N4O3S — CID 141457773

IUPAC3-piperazin-1-ylsulfonylbenzohydrazide
SMILESNNC(=O)c1cccc(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C11H16N4O3S/c12-14-11(16)9-2-1-3-10(8-9)19(17,18)15-6-4-13-5-7-15/h1-3,8,13H,4-7,12H2,(H,14,16)
InChIKeyHLCYIQNIFBVNTG-UHFFFAOYSA-N
MW284.34 g/mol
LogP-1.12
Rot. Bonds3

About 3-piperazin-1-ylsulfonylbenzohydrazide

3-piperazin-1-ylsulfonylbenzohydrazide (PubChem CID 141457773) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-piperazin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name3-piperazin-1-ylsulfonylbenzohydrazide
PubChem CID141457773
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3-piperazin-1-ylsulfonylbenzohydrazide
SMILESNNC(=O)c1cccc(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C11H16N4O3S/c12-14-11(16)9-2-1-3-10(8-9)19(17,18)15-6-4-13-5-7-15/h1-3,8,13H,4-7,12H2,(H,14,16)
InChIKeyHLCYIQNIFBVNTG-UHFFFAOYSA-N
XLogP-1.12
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
methyl 3-piperazin-1-ylsulfonylbenzoate
CID 39384372
3-(1,4-diazepan-1-ylsulfonyl)benzoic acid
CID 61405195
3-piperazin-1-ylsulfonyl-N-(2-pyridin-4-ylethyl)benzamide;dihydrochloride
CID 154900458
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
3-(1,4-diazepan-1-ylsulfonyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 72918780
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
2-amino-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 82092572
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 3-piperazin-1-ylsulfonylbenzohydrazide (CID 141457773) is 3-piperazin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 3-piperazin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 3-piperazin-1-ylsulfonylbenzohydrazide is NNC(=O)c1cccc(S(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-ylsulfonylbenzohydrazide?
The InChIKey is HLCYIQNIFBVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-14-11(16)9-2-1-3-10(8-9)19(17,18)15-6-4-13-5-7-15/h1-3,8,13H,4-7,12H2,(H,14,16).
What are the key properties of 3-piperazin-1-ylsulfonylbenzohydrazide?
3-piperazin-1-ylsulfonylbenzohydrazide has a molecular weight of 284.34 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 141457773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).