2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane

C4H11F2N3O2S — CID 107493820

IUPAC2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
SMILESNCCN(CC(F)F)S(N)(=O)=O
InChIInChI=1S/C4H11F2N3O2S/c5-4(6)3-9(2-1-7)12(8,10)11/h4H,1-3,7H2,(H2,8,10,11)
InChIKeySHPIKCWJHZAJCD-UHFFFAOYSA-N
MW203.21 g/mol
LogP-1.28
Rot. Bonds5

About 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane

2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane (PubChem CID 107493820) has the molecular formula C4H11F2N3O2S and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
PubChem CID107493820
Molecular FormulaC4H11F2N3O2S
Molecular Weight203.21 g/mol
Exact Mass203.05
IUPAC Name2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
SMILESNCCN(CC(F)F)S(N)(=O)=O
InChIInChI=1S/C4H11F2N3O2S/c5-4(6)3-9(2-1-7)12(8,10)11/h4H,1-3,7H2,(H2,8,10,11)
InChIKeySHPIKCWJHZAJCD-UHFFFAOYSA-N
XLogP-1.28
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Piperazinylsulfonyl)(2,2,2-trifluoroethyl)amine
CID 28775807
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 60891761
N-(2-aminoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 61349695
N-[2-(ethylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 62665312
N-(2-aminoethyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 62688262
N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 63228038
N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 75478987
2-[1,1-Dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]ethanamine
CID 84803316
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
CID 84806756
N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide hydrochloride
CID 91623601

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane?
The IUPAC name of 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane (CID 107493820) is 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane.
What is the SMILES notation for 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane?
The canonical SMILES for 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane is NCCN(CC(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane?
The InChIKey is SHPIKCWJHZAJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11F2N3O2S/c5-4(6)3-9(2-1-7)12(8,10)11/h4H,1-3,7H2,(H2,8,10,11).
What are the key properties of 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane?
2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane has a molecular weight of 203.21 g/mol, XLogP of -1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(sulfamoyl)amino]-1,1-difluoroethane is sourced from PubChem (CID 107493820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).