N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H11F5N2O2S — CID 107493948

IUPACN-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H11F5N2O2S/c11-7-1-2-9(8(12)5-7)20(18,19)17(4-3-16)6-10(13,14)15/h1-2,5H,3-4,6,16H2
InChIKeyGUHLPARMMXASHH-UHFFFAOYSA-N
MW318.27 g/mol
LogP1.48
Rot. Bonds5

About N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107493948) has the molecular formula C10H11F5N2O2S and a molecular weight of 318.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107493948
Molecular FormulaC10H11F5N2O2S
Molecular Weight318.27 g/mol
Exact Mass318.05
IUPAC NameN-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H11F5N2O2S/c11-7-1-2-9(8(12)5-7)20(18,19)17(4-3-16)6-10(13,14)15/h1-2,5H,3-4,6,16H2
InChIKeyGUHLPARMMXASHH-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
2-chloro-N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493038
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
2-[(4-chloro-2-fluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265480
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-2,4-difluorobenzenesulfonamide
CID 62009856
N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 106441786
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
5-amino-4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 116530121

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107493948) is N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is NCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is GUHLPARMMXASHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2O2S/c11-7-1-2-9(8(12)5-7)20(18,19)17(4-3-16)6-10(13,14)15/h1-2,5H,3-4,6,16H2.
What are the key properties of N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 318.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107493948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).