2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide

C12H8F4N2O2S — CID 62809639

IUPAC2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H8F4N2O2S/c13-6-1-2-11(10(17)3-6)21(19,20)18-7-4-8(14)12(16)9(15)5-7/h1-5,18H,17H2
InChIKeyUSHHJOIJVJFXTL-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide

2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide (PubChem CID 62809639) has the molecular formula C12H8F4N2O2S and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
PubChem CID62809639
Molecular FormulaC12H8F4N2O2S
Molecular Weight320.27 g/mol
Exact Mass320.02
IUPAC Name2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H8F4N2O2S/c13-6-1-2-11(10(17)3-6)21(19,20)18-7-4-8(14)12(16)9(15)5-7/h1-5,18H,17H2
InChIKeyUSHHJOIJVJFXTL-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298856
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 107571257
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
2-amino-4-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55132808
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
N-(2-amino-5-fluorophenyl)-2,3,4-trifluorobenzenesulfonamide
CID 63257823
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide (CID 62809639) is 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
The InChIKey is USHHJOIJVJFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O2S/c13-6-1-2-11(10(17)3-6)21(19,20)18-7-4-8(14)12(16)9(15)5-7/h1-5,18H,17H2.
What are the key properties of 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide?
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide has a molecular weight of 320.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 62809639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).