N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide

C10H11F5N2O2S — CID 107493808

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F5N2O2S/c11-6-3-7(12)10(8(13)4-6)20(18,19)17(2-1-16)5-9(14)15/h3-4,9H,1-2,5,16H2
InChIKeyHZNQSTVUGZHEBZ-UHFFFAOYSA-N
MW318.27 g/mol
LogP1.32
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 107493808) has the molecular formula C10H11F5N2O2S and a molecular weight of 318.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID107493808
Molecular FormulaC10H11F5N2O2S
Molecular Weight318.27 g/mol
Exact Mass318.05
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
SMILESNCCN(CC(F)F)S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H11F5N2O2S/c11-6-3-7(12)10(8(13)4-6)20(18,19)17(2-1-16)5-9(14)15/h3-4,9H,1-2,5,16H2
InChIKeyHZNQSTVUGZHEBZ-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
N-(2,2-difluoroethyl)-2,5-difluoro-N-propylbenzenesulfonamide
CID 60607549
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107329467
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
2-[2-methylpropyl-(2,4,6-trifluorophenyl)sulfonylamino]acetic acid
CID 63066060
N-(2-aminoethyl)-2-bromo-4,6-difluoro-N-methylbenzenesulfonamide
CID 62686253
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 107493871
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 107493817
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
CID 107493803

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide (CID 107493808) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide is NCCN(CC(F)F)S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is HZNQSTVUGZHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2S/c11-6-3-7(12)10(8(13)4-6)20(18,19)17(2-1-16)5-9(14)15/h3-4,9H,1-2,5,16H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 318.27 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 107493808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).