N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide

C13H11F3N2O2S — CID 64894668

IUPACN-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2S/c14-9-5-6-11(13(16)12(9)15)21(19,20)18-10-4-2-1-3-8(10)7-17/h1-6,18H,7,17H2
InChIKeyATIDVGGUZAGAIE-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide

N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 64894668) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID64894668
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
SMILESNCc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2S/c14-9-5-6-11(13(16)12(9)15)21(19,20)18-10-4-2-1-3-8(10)7-17/h1-6,18H,7,17H2
InChIKeyATIDVGGUZAGAIE-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2441935
N-[2-(aminomethyl)phenyl]-2-bromo-4-fluorobenzenesulfonamide
CID 64895248
N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2442571
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
N-[2-(aminomethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 64894286
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide (CID 64894668) is N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide is NCc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is ATIDVGGUZAGAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-9-5-6-11(13(16)12(9)15)21(19,20)18-10-4-2-1-3-8(10)7-17/h1-6,18H,7,17H2.
What are the key properties of N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide?
N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 64894668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).