N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide

C13H14FN3O3S — CID 114840106

IUPACN-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2NN)ccc1F
InChIInChI=1S/C13H14FN3O3S/c1-20-12-8-9(6-7-10(12)14)17-21(18,19)13-5-3-2-4-11(13)16-15/h2-8,16-17H,15H2,1H3
InChIKeyHOBPDISCUVFNIR-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.92
Rot. Bonds5

About N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide

N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 114840106) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
PubChem CID114840106
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2NN)ccc1F
InChIInChI=1S/C13H14FN3O3S/c1-20-12-8-9(6-7-10(12)14)17-21(18,19)13-5-3-2-4-11(13)16-15/h2-8,16-17H,15H2,1H3
InChIKeyHOBPDISCUVFNIR-UHFFFAOYSA-N
XLogP1.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide (CID 114840106) is N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2NN)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is HOBPDISCUVFNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-20-12-8-9(6-7-10(12)14)17-21(18,19)13-5-3-2-4-11(13)16-15/h2-8,16-17H,15H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide?
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 114840106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).