N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide

C17H16N2O3S — CID 18190358

IUPACN'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-17(14-7-2-1-3-8-14)18-19-23(21,22)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyFAXUNRYOHQBYDK-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.24
Rot. Bonds4

About N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide

N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide (PubChem CID 18190358) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide
PubChem CID18190358
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-17(14-7-2-1-3-8-14)18-19-23(21,22)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,19H,10-11H2,(H,18,20)
InChIKeyFAXUNRYOHQBYDK-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.24
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

N'-(3,4-dihydronaphthalen-2-ylsulfonyl)oxolane-2-carbohydrazide
CID 87026861
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-methoxybenzamide
CID 86868851
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-1-methylpyrazole-4-carboxamide
CID 86868856
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
CID 60602780
N-cyclohexyl-3,4-dihydronaphthalene-2-sulfonamide
CID 18190615
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
N'-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 71936989
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 17465245
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 75458356

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide?
The IUPAC name of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide (CID 18190358) is N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide.
What is the SMILES notation for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide?
The canonical SMILES for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide is O=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1.
What is the InChIKey of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide?
The InChIKey is FAXUNRYOHQBYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-17(14-7-2-1-3-8-14)18-19-23(21,22)16-11-10-13-6-4-5-9-15(13)12-16/h1-9,12,19H,10-11H2,(H,18,20).
What are the key properties of N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide?
N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide has a molecular weight of 328.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydronaphthalen-2-ylsulfonyl)benzohydrazide is sourced from PubChem (CID 18190358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).