5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

C9H8F6N2O2S — CID 106289392

IUPAC5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(F)cc1F
InChIInChI=1S/C9H8F6N2O2S/c10-4-1-5(11)7(2-6(4)16)20(18,19)17-3-9(14,15)8(12)13/h1-2,8,17H,3,16H2
InChIKeyNZURGIQKHDLEAB-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.73
Rot. Bonds5

About 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (PubChem CID 106289392) has the molecular formula C9H8F6N2O2S and a molecular weight of 322.23 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
PubChem CID106289392
Molecular FormulaC9H8F6N2O2S
Molecular Weight322.23 g/mol
Exact Mass322.02
IUPAC Name5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(F)cc1F
InChIInChI=1S/C9H8F6N2O2S/c10-4-1-5(11)7(2-6(4)16)20(18,19)17-3-9(14,15)8(12)13/h1-2,8,17H,3,16H2
InChIKeyNZURGIQKHDLEAB-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
5-chloro-3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295804
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (CID 106289392) is 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCC(F)(F)C(F)F)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The InChIKey is NZURGIQKHDLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2S/c10-4-1-5(11)7(2-6(4)16)20(18,19)17-3-9(14,15)8(12)13/h1-2,8,17H,3,16H2.
What are the key properties of 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide has a molecular weight of 322.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is sourced from PubChem (CID 106289392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).