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

C18H15FN4O3S — CID 135298767

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide
SMILESCc1cc(-c2ncccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
InChIKeyZEILGPBOAJFIRQ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.21
Rot. Bonds5

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

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298767) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide
PubChem CID135298767
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide
SMILESCc1cc(-c2ncccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
InChIKeyZEILGPBOAJFIRQ-UHFFFAOYSA-N
XLogP2.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.21
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

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
N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298765
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
N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145965853
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145967990

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide (CID 135298767) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide is Cc1cc(-c2ncccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide?
The InChIKey is ZEILGPBOAJFIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide has a molecular weight of 386.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).