N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide

C12H11ClFN3O2S — CID 61470421

IUPACN-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O2S/c13-8-5-6-10(9(14)7-8)17-20(18,19)12-4-2-1-3-11(12)16-15/h1-7,16-17H,15H2
InChIKeyPFJXSBXWRMLXHQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.57
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide

N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 61470421) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
PubChem CID61470421
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H11ClFN3O2S/c13-8-5-6-10(9(14)7-8)17-20(18,19)12-4-2-1-3-11(12)16-15/h1-7,16-17H,15H2
InChIKeyPFJXSBXWRMLXHQ-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-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
CID 114840106
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
N-(4-bromo-2,6-dichlorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455137
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide (CID 61470421) is N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is PFJXSBXWRMLXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c13-8-5-6-10(9(14)7-8)17-20(18,19)12-4-2-1-3-11(12)16-15/h1-7,16-17H,15H2.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide?
N-(4-chloro-2-fluorophenyl)-2-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-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 61470421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).