N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide

C11H15F3N2O2S — CID 16774838

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2O2S/c1-2-3-6-19(17,18)16-10-5-4-8(7-9(10)15)11(12,13)14/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeyHXYSYYFRLAHDKN-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.83
Rot. Bonds5

About N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide

N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide (PubChem CID 16774838) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
PubChem CID16774838
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2O2S/c1-2-3-6-19(17,18)16-10-5-4-8(7-9(10)15)11(12,13)14/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeyHXYSYYFRLAHDKN-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.83
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

ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
N-[2-nitro-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640770
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1-sulfonamide
CID 43550625
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
2-(2-butoxyethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81175071
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide (CID 16774838) is N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The InChIKey is HXYSYYFRLAHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-3-6-19(17,18)16-10-5-4-8(7-9(10)15)11(12,13)14/h4-5,7,16H,2-3,6,15H2,1H3.
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide?
N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 16774838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).