N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide

C8H9F3N2O2S — CID 20650751

IUPACN-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESNc1cccc(NS(=O)(=O)CC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-16(14,15)13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2
InChIKeyAIUIDGYKQAXSPZ-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.57
Rot. Bonds3

About N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide

N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 20650751) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID20650751
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC NameN-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESNc1cccc(NS(=O)(=O)CC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-16(14,15)13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2
InChIKeyAIUIDGYKQAXSPZ-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.57
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-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide;methane;pentane
CID 158345532
N-[3-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]phenyl]-2,2,2-trifluoroethanesulfonamide
CID 67615345
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
methyl 2-[(3-aminophenyl)sulfamoyl]propanoate
CID 54951310
1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
CID 66880835
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide (CID 20650751) is N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide is Nc1cccc(NS(=O)(=O)CC(F)(F)F)c1.
What is the InChIKey of N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is AIUIDGYKQAXSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)5-16(14,15)13-7-3-1-2-6(12)4-7/h1-4,13H,5,12H2.
What are the key properties of N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide?
N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 20650751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).