N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide

C6H14F2N2O2S — CID 115407704

IUPACN-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-9-3-4-13(11,12)10-5-6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyDJKYKPINUYERCY-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.22
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide

N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 115407704) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
PubChem CID115407704
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-9-3-4-13(11,12)10-5-6(7)8/h6,9-10H,2-5H2,1H3
InChIKeyDJKYKPINUYERCY-UHFFFAOYSA-N
XLogP-0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
2-(cyclopropylamino)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115409138
2-[2-(ethylamino)ethylsulfonylamino]acetic acid
CID 87616397
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
CID 106330262
N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
CID 106013598
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide (CID 115407704) is N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is DJKYKPINUYERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-2-9-3-4-13(11,12)10-5-6(7)8/h6,9-10H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide?
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 115407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).