N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide

C13H12FN3O3S — CID 155543095

IUPACN'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide
SMILESNc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C13H12FN3O3S/c14-12-7-2-1-6-11(12)13(18)16-17-21(19,20)10-5-3-4-9(15)8-10/h1-8,17H,15H2,(H,16,18)
InChIKeyLIWSJGNOOOQKKY-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.03
Rot. Bonds4

About N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide

N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide (PubChem CID 155543095) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide
PubChem CID155543095
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC NameN'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide
SMILESNc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C13H12FN3O3S/c14-12-7-2-1-6-11(12)13(18)16-17-21(19,20)10-5-3-4-9(15)8-10/h1-8,17H,15H2,(H,16,18)
InChIKeyLIWSJGNOOOQKKY-UHFFFAOYSA-N
XLogP1.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide (CID 155543095) is N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide is Nc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1.
What is the InChIKey of N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide?
The InChIKey is LIWSJGNOOOQKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-12-7-2-1-6-11(12)13(18)16-17-21(19,20)10-5-3-4-9(15)8-10/h1-8,17H,15H2,(H,16,18).
What are the key properties of N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide?
N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide has a molecular weight of 309.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 155543095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).