2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide

C17H17FN2O3S — CID 8523938

IUPAC2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F
InChIInChI=1S/C17H17FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,20H,1-2,5-6H2,(H,19,21)
InChIKeyHYOOPSBRKQTHBP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.33
Rot. Bonds4

About 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide

2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide (PubChem CID 8523938) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
PubChem CID8523938
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F
InChIInChI=1S/C17H17FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,20H,1-2,5-6H2,(H,19,21)
InChIKeyHYOOPSBRKQTHBP-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.33
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-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide
CID 8514954
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
CID 17433853
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide (CID 8523938) is 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The InChIKey is HYOOPSBRKQTHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,20H,1-2,5-6H2,(H,19,21).
What are the key properties of 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide has a molecular weight of 348.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide is sourced from PubChem (CID 8523938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).