2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide

C17H16FN3O5S — CID 8515699

IUPAC2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16FN3O5S/c18-13-3-1-2-4-15(13)26-10-17(23)20-21-27(24,25)12-6-7-14-11(9-12)5-8-16(22)19-14/h1-4,6-7,9,21H,5,8,10H2,(H,19,22)(H,20,23)
InChIKeyMSSZTMAWUNMHHV-UHFFFAOYSA-N
MW393.40 g/mol
LogP1.10
Rot. Bonds6

About 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide

2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide (PubChem CID 8515699) has the molecular formula C17H16FN3O5S and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
PubChem CID8515699
Molecular FormulaC17H16FN3O5S
Molecular Weight393.40 g/mol
Exact Mass393.08
IUPAC Name2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H16FN3O5S/c18-13-3-1-2-4-15(13)26-10-17(23)20-21-27(24,25)12-6-7-14-11(9-12)5-8-16(22)19-14/h1-4,6-7,9,21H,5,8,10H2,(H,19,22)(H,20,23)
InChIKeyMSSZTMAWUNMHHV-UHFFFAOYSA-N
XLogP1.10
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 8614591
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 71894484
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790
2-(2-fluorophenoxy)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 110788485
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
CID 75415660
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
CID 154805757

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide (CID 8515699) is 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide is O=C(COc1ccccc1F)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide?
The InChIKey is MSSZTMAWUNMHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5S/c18-13-3-1-2-4-15(13)26-10-17(23)20-21-27(24,25)12-6-7-14-11(9-12)5-8-16(22)19-14/h1-4,6-7,9,21H,5,8,10H2,(H,19,22)(H,20,23).
What are the key properties of 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide?
2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide has a molecular weight of 393.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide is sourced from PubChem (CID 8515699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).