N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide

C12H11ClFN3O2S — CID 107367287

IUPACN-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C12H11ClFN3O2S/c13-8-5-9(14)7-11(6-8)17-20(18,19)12-3-1-10(16-15)2-4-12/h1-7,16-17H,15H2
InChIKeyHEJJXGATBVNFQU-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.57
Rot. Bonds4

About N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide

N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 107367287) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
PubChem CID107367287
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C12H11ClFN3O2S/c13-8-5-9(14)7-11(6-8)17-20(18,19)12-3-1-10(16-15)2-4-12/h1-7,16-17H,15H2
InChIKeyHEJJXGATBVNFQU-UHFFFAOYSA-N
XLogP2.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.57
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-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 166375642
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide (CID 107367287) is N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is HEJJXGATBVNFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-8-5-9(14)7-11(6-8)17-20(18,19)12-3-1-10(16-15)2-4-12/h1-7,16-17H,15H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide?
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 107367287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).