N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide

C17H14FN3O3S — CID 1481261

IUPACN'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1-n1cccc1
InChIInChI=1S/C17H14FN3O3S/c18-14-8-2-4-10-16(14)25(23,24)20-19-17(22)13-7-1-3-9-15(13)21-11-5-6-12-21/h1-12,20H,(H,19,22)
InChIKeyUTOADMZHBJHNSA-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.24
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide (PubChem CID 1481261) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
PubChem CID1481261
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1-n1cccc1
InChIInChI=1S/C17H14FN3O3S/c18-14-8-2-4-10-16(14)25(23,24)20-19-17(22)13-7-1-3-9-15(13)21-11-5-6-12-21/h1-12,20H,(H,19,22)
InChIKeyUTOADMZHBJHNSA-UHFFFAOYSA-N
XLogP2.24
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide (CID 1481261) is N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1-n1cccc1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is UTOADMZHBJHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-14-8-2-4-10-16(14)25(23,24)20-19-17(22)13-7-1-3-9-15(13)21-11-5-6-12-21/h1-12,20H,(H,19,22).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 359.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 1481261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).