N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide

C16H12F2N4O3S — CID 135298779

IUPACN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C16H12F2N4O3S/c17-12-9-19-22(10-12)13-5-3-4-11(8-13)16(23)20-21-26(24,25)15-7-2-1-6-14(15)18/h1-10,21H,(H,20,23)
InChIKeyHKDHQUPSXZZMKS-UHFFFAOYSA-N
MW378.36 g/mol
LogP1.77
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide (PubChem CID 135298779) has the molecular formula C16H12F2N4O3S and a molecular weight of 378.36 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide
PubChem CID135298779
Molecular FormulaC16H12F2N4O3S
Molecular Weight378.36 g/mol
Exact Mass378.06
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C16H12F2N4O3S/c17-12-9-19-22(10-12)13-5-3-4-11(8-13)16(23)20-21-26(24,25)15-7-2-1-6-14(15)18/h1-10,21H,(H,20,23)
InChIKeyHKDHQUPSXZZMKS-UHFFFAOYSA-N
XLogP1.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 51.77
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'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide (CID 135298779) is N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-n2cc(F)cn2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide?
The InChIKey is HKDHQUPSXZZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O3S/c17-12-9-19-22(10-12)13-5-3-4-11(8-13)16(23)20-21-26(24,25)15-7-2-1-6-14(15)18/h1-10,21H,(H,20,23).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide has a molecular weight of 378.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide is sourced from PubChem (CID 135298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).