N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide

C17H13FN4O3S — CID 135298765

IUPACN'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ncccn2)c1
InChIInChI=1S/C17H13FN4O3S/c18-14-10-12(16-19-7-4-8-20-16)9-13(11-14)17(23)21-22-26(24,25)15-5-2-1-3-6-15/h1-11,22H,(H,21,23)
InChIKeyDEKFATKFBFARAY-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.91
Rot. Bonds5

About N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298765) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
PubChem CID135298765
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ncccn2)c1
InChIInChI=1S/C17H13FN4O3S/c18-14-10-12(16-19-7-4-8-20-16)9-13(11-14)17(23)21-22-26(24,25)15-5-2-1-3-6-15/h1-11,22H,(H,21,23)
InChIKeyDEKFATKFBFARAY-UHFFFAOYSA-N
XLogP1.91
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
CID 135298767
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide
CID 135298532
N'-(benzenesulfonyl)-2-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298582
N'-(benzenesulfonyl)-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298593
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298633
N'-(2-fluorophenyl)sulfonyl-3-pyrimidin-2-ylbenzohydrazide
CID 135298635
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298766
2,3,4,5,6-Pentafluoro-N-[4-(4-sulfamoyl-phenylamino)-pyrimidin-2-yl]-benzamide
CID 3576817
4-[(pyrimidin-2-ylamino)methyl]-N-[[4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzamide
CID 145964127
N-[[4-[[[4-(4-fluorophenyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145964376

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide (CID 135298765) is N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ncccn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide?
The InChIKey is DEKFATKFBFARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c18-14-10-12(16-19-7-4-8-20-16)9-13(11-14)17(23)21-22-26(24,25)15-5-2-1-3-6-15/h1-11,22H,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide has a molecular weight of 372.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).