N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide

C14H16FN3O2S — CID 43566343

IUPACN-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C14H16FN3O2S/c15-12-3-1-2-11(10-12)8-9-17-21(19,20)14-6-4-13(18-16)5-7-14/h1-7,10,17-18H,8-9,16H2
InChIKeyOJWUNPMGSBGZAA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide

N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide (PubChem CID 43566343) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
PubChem CID43566343
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C14H16FN3O2S/c15-12-3-1-2-11(10-12)8-9-17-21(19,20)14-6-4-13(18-16)5-7-14/h1-7,10,17-18H,8-9,16H2
InChIKeyOJWUNPMGSBGZAA-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.63
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

4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
4-[2-(3-fluorophenyl)ethylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 38257742
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 156828632

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide (CID 43566343) is N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(=O)(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide?
The InChIKey is OJWUNPMGSBGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-12-3-1-2-11(10-12)8-9-17-21(19,20)14-6-4-13(18-16)5-7-14/h1-7,10,17-18H,8-9,16H2.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide?
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43566343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).