N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide

C18H15FN4O4S — CID 135298534

IUPACN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1
InChIInChI=1S/C18H15FN4O4S/c1-27-14-10-12(17-20-7-4-8-21-17)9-13(11-14)18(24)22-23-28(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24)
InChIKeyNAZYKBWXMCHEDM-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.91
Rot. Bonds6

About N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298534) has the molecular formula C18H15FN4O4S and a molecular weight of 402.41 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
PubChem CID135298534
Molecular FormulaC18H15FN4O4S
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1
InChIInChI=1S/C18H15FN4O4S/c1-27-14-10-12(17-20-7-4-8-21-17)9-13(11-14)18(24)22-23-28(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24)
InChIKeyNAZYKBWXMCHEDM-UHFFFAOYSA-N
XLogP1.91
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
CID 24742235
1-(2-methoxy-4-(trifluoromethyl)phenyl)-4-oxo-N-(pyrimidin-4-yl)-3,4-dihydrophthalazine-6-sulfonamide
CID 86687728
1-[5-(3-fluorophenyl)-2-methoxyphenyl]-4-oxo-N-pyrimidin-4-yl-3H-phthalazine-6-sulfonamide
CID 89614386
N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
CID 143531128
3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]benzamide
CID 145039578
2-fluoro-N-[2-(3-methoxy-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 158816186
3-(difluoromethoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 2597978
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 3474134
4-fluoro-N-[[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 5099143

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide (CID 135298534) is N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
The InChIKey is NAZYKBWXMCHEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4S/c1-27-14-10-12(17-20-7-4-8-21-17)9-13(11-14)18(24)22-23-28(25,26)16-6-3-2-5-15(16)19/h2-11,23H,1H3,(H,22,24).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide has a molecular weight of 402.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).