N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide

C18H17FN4O3S — CID 135298778

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(C)c(F)c(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C18H17FN4O3S/c1-12-10-14(23-9-8-13(2)21-23)11-16(17(12)19)18(24)20-22-27(25,26)15-6-4-3-5-7-15/h3-11,22H,1-2H3,(H,20,24)
InChIKeyYTAZYASFLLTLPW-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.25
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide (PubChem CID 135298778) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
PubChem CID135298778
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide
SMILESCc1ccn(-c2cc(C)c(F)c(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C18H17FN4O3S/c1-12-10-14(23-9-8-13(2)21-23)11-16(17(12)19)18(24)20-22-27(25,26)15-6-4-3-5-7-15/h3-11,22H,1-2H3,(H,20,24)
InChIKeyYTAZYASFLLTLPW-UHFFFAOYSA-N
XLogP2.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide (CID 135298778) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide is Cc1ccn(-c2cc(C)c(F)c(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
The InChIKey is YTAZYASFLLTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-12-10-14(23-9-8-13(2)21-23)11-16(17(12)19)18(24)20-22-27(25,26)15-6-4-3-5-7-15/h3-11,22H,1-2H3,(H,20,24).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(3-methylpyrazol-1-yl)benzohydrazide has a molecular weight of 388.42 g/mol, XLogP of 2.25, 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-(3-methylpyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 135298778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).