N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide

C13H14FN3O2S — CID 43455024

IUPACN-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-16-20(18,19)13-7-5-12(17-15)6-8-13/h1-8,16-17H,9,15H2
InChIKeyCTHGFLZAZDDXMN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.59
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide (PubChem CID 43455024) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
PubChem CID43455024
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-16-20(18,19)13-7-5-12(17-15)6-8-13/h1-8,16-17H,9,15H2
InChIKeyCTHGFLZAZDDXMN-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
3-amino-4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 115328602
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide (CID 43455024) is N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The InChIKey is CTHGFLZAZDDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-10(2-4-11)9-16-20(18,19)13-7-5-12(17-15)6-8-13/h1-8,16-17H,9,15H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43455024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).