N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide

C12H10FN5O2S — CID 103301404

IUPACN-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ncccc2NN)ccc1F
InChIInChI=1S/C12H10FN5O2S/c13-10-4-3-9(6-8(10)7-14)18-21(19,20)12-11(17-15)2-1-5-16-12/h1-6,17-18H,15H2
InChIKeyORVSMCIGIYIXOX-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.18
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide

N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide (PubChem CID 103301404) has the molecular formula C12H10FN5O2S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
PubChem CID103301404
Molecular FormulaC12H10FN5O2S
Molecular Weight307.31 g/mol
Exact Mass307.05
IUPAC NameN-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ncccc2NN)ccc1F
InChIInChI=1S/C12H10FN5O2S/c13-10-4-3-9(6-8(10)7-14)18-21(19,20)12-11(17-15)2-1-5-16-12/h1-6,17-18H,15H2
InChIKeyORVSMCIGIYIXOX-UHFFFAOYSA-N
XLogP1.18
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-chloro-3-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299415
N-(5-chloro-2-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300976
N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300777
N-(3,5-dimethylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300898
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-2-sulfonamide
CID 103300935
N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 107622147
N-(2,6-dichloro-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301917
N-(4-fluoro-2-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300908
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
3-hydrazinyl-N-(2,4,5-trichlorophenyl)pyridine-2-sulfonamide
CID 103300792

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide (CID 103301404) is N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide is N#Cc1cc(NS(=O)(=O)c2ncccc2NN)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide?
The InChIKey is ORVSMCIGIYIXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2S/c13-10-4-3-9(6-8(10)7-14)18-21(19,20)12-11(17-15)2-1-5-16-12/h1-6,17-18H,15H2.
What are the key properties of N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide?
N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide has a molecular weight of 307.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-3-hydrazinylpyridine-2-sulfonamide is sourced from PubChem (CID 103301404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).