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

C16H14FN3O4S — CID 8514954

IUPAC2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide
SMILESO=C1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3F)ccc2N1
InChIInChI=1S/C16H14FN3O4S/c17-13-4-2-1-3-12(13)16(22)19-20-25(23,24)11-6-7-14-10(9-11)5-8-15(21)18-14/h1-4,6-7,9,20H,5,8H2,(H,18,21)(H,19,22)
InChIKeyGMGDKNHHHQJIMG-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.33
Rot. Bonds4

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

2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide (PubChem CID 8514954) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide
PubChem CID8514954
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide
SMILESO=C1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3F)ccc2N1
InChIInChI=1S/C16H14FN3O4S/c17-13-4-2-1-3-12(13)16(22)19-20-25(23,24)11-6-7-14-10(9-11)5-8-15(21)18-14/h1-4,6-7,9,20H,5,8H2,(H,18,21)(H,19,22)
InChIKeyGMGDKNHHHQJIMG-UHFFFAOYSA-N
XLogP1.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
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-(2-fluorophenoxy)-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetohydrazide
CID 8515699
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
2-(methoxymethyl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
CID 75415660
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
CID 154805757
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide (CID 8514954) is 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide is O=C1CCc2cc(S(=O)(=O)NNC(=O)c3ccccc3F)ccc2N1.
What is the InChIKey of 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide?
The InChIKey is GMGDKNHHHQJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c17-13-4-2-1-3-12(13)16(22)19-20-25(23,24)11-6-7-14-10(9-11)5-8-15(21)18-14/h1-4,6-7,9,20H,5,8H2,(H,18,21)(H,19,22).
What are the key properties of 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide?
2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide has a molecular weight of 363.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzohydrazide is sourced from PubChem (CID 8514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).