N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide

C13H12ClFN2O2S — CID 105399556

IUPACN-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccccc1CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2
InChIKeyQSYXNKYRPFJPFZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide

N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399556) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399556
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccccc1CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2
InChIKeyQSYXNKYRPFJPFZ-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 105400574
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170
2-amino-5-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 60986102
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide (CID 105399556) is N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide is Nc1ccccc1CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is QSYXNKYRPFJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-11-6-5-10(15)7-13(11)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide?
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).