N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide

C8H10F2N2O2S — CID 43603529

IUPACN-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2O2S/c9-6-2-1-3-7(10)8(6)15(13,14)12-5-4-11/h1-3,12H,4-5,11H2
InChIKeyYTRCKOHWQHDLPW-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.20
Rot. Bonds4

About N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide

N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide (PubChem CID 43603529) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
PubChem CID43603529
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC NameN-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
SMILESNCCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C8H10F2N2O2S/c9-6-2-1-3-7(10)8(6)15(13,14)12-5-4-11/h1-3,12H,4-5,11H2
InChIKeyYTRCKOHWQHDLPW-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-fluoro-6-nitrobenzenesulfonamide
CID 86780511
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
N-[[4-(aminomethyl)phenyl]methyl]-2,6-difluorobenzenesulfonamide
CID 81093126
N-(3-aminopropyl)-2-bromo-6-fluorobenzenesulfonamide;hydrochloride
CID 86780627
N-(2-amino-2-methylpropyl)-2,6-difluorobenzenesulfonamide;hydrochloride
CID 119987957
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
2,6-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834827
N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
CID 8801394
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide (CID 43603529) is N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide is NCCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is YTRCKOHWQHDLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c9-6-2-1-3-7(10)8(6)15(13,14)12-5-4-11/h1-3,12H,4-5,11H2.
What are the key properties of N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide?
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 43603529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).