2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide

C18H19FN2O4S — CID 8506094

IUPAC2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19FN2O4S/c19-15-6-3-7-16(11-15)25-12-18(22)20-21-26(23,24)17-9-8-13-4-1-2-5-14(13)10-17/h3,6-11,21H,1-2,4-5,12H2,(H,20,22)
InChIKeyFTIDWSHEBXHSOL-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.09
Rot. Bonds6

About 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide

2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide (PubChem CID 8506094) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
PubChem CID8506094
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19FN2O4S/c19-15-6-3-7-16(11-15)25-12-18(22)20-21-26(23,24)17-9-8-13-4-1-2-5-14(13)10-17/h3,6-11,21H,1-2,4-5,12H2,(H,20,22)
InChIKeyFTIDWSHEBXHSOL-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 8506063
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 51139353
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-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The IUPAC name of 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide (CID 8506094) is 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The canonical SMILES for 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide is O=C(COc1cccc(F)c1)NNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
The InChIKey is FTIDWSHEBXHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-15-6-3-7-16(11-15)25-12-18(22)20-21-26(23,24)17-9-8-13-4-1-2-5-14(13)10-17/h3,6-11,21H,1-2,4-5,12H2,(H,20,22).
What are the key properties of 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide?
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide has a molecular weight of 378.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide is sourced from PubChem (CID 8506094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).