N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide

C13H14FN3O2S — CID 43455060

IUPACN-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H14FN3O2S/c1-9-8-10(14)2-7-13(9)17-20(18,19)12-5-3-11(16-15)4-6-12/h2-8,16-17H,15H2,1H3
InChIKeyCNAZBKKPLJUZDA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.22
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide

N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 43455060) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
PubChem CID43455060
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C13H14FN3O2S/c1-9-8-10(14)2-7-13(9)17-20(18,19)12-5-3-11(16-15)4-6-12/h2-8,16-17H,15H2,1H3
InChIKeyCNAZBKKPLJUZDA-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.22
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-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2-amino-N-(4-fluoro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28556510

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide (CID 43455060) is N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is CNAZBKKPLJUZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-8-10(14)2-7-13(9)17-20(18,19)12-5-3-11(16-15)4-6-12/h2-8,16-17H,15H2,1H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide?
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43455060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).