N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide

C13H15FN4O2S — CID 103300825

IUPACN-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ncccc1NN
InChIInChI=1S/C13H15FN4O2S/c1-18(9-10-4-2-5-11(14)8-10)21(19,20)13-12(17-15)6-3-7-16-13/h2-8,17H,9,15H2,1H3
InChIKeyCMXXHHPSSKLOIN-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.33
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide

N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide (PubChem CID 103300825) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
PubChem CID103300825
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC NameN-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ncccc1NN
InChIInChI=1S/C13H15FN4O2S/c1-18(9-10-4-2-5-11(14)8-10)21(19,20)13-12(17-15)6-3-7-16-13/h2-8,17H,9,15H2,1H3
InChIKeyCMXXHHPSSKLOIN-UHFFFAOYSA-N
XLogP1.33
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103301059
N-methyl-3-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103305698
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
3-hydrazinyl-N,N-dimethylpyridine-2-sulfonamide
CID 103300835
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103299693
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)ethanesulfonamide
CID 54973713
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
3-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103301356
3-hydrazinyl-N,N-dipropylpyridine-2-sulfonamide
CID 103300870
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide (CID 103300825) is N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)c1ncccc1NN.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide?
The InChIKey is CMXXHHPSSKLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-18(9-10-4-2-5-11(14)8-10)21(19,20)13-12(17-15)6-3-7-16-13/h2-8,17H,9,15H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide?
N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-hydrazinyl-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 103300825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).