3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane

C7H16F2N2O3S — CID 103836857

IUPAC3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-6(12)7(8)9/h6-7,10,12H,3-5H2,1-2H3
InChIKeyPCNDRNOEUAZKIO-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.21
Rot. Bonds7

About 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane

3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane (PubChem CID 103836857) has the molecular formula C7H16F2N2O3S and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane
PubChem CID103836857
Molecular FormulaC7H16F2N2O3S
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-6(12)7(8)9/h6-7,10,12H,3-5H2,1-2H3
InChIKeyPCNDRNOEUAZKIO-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
CID 167049288
1,1-Difluoro-2-hydroxy-3-(sulfamoylamino)propane
CID 103731751
3-(Dipropylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
CID 103833973
3-(Ethylsulfamoylamino)-1,1,1-trifluoropropan-2-ol
CID 103833978
N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 103834022
1,1,1-Trifluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 103834040
3-(Dimethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
CID 103834041
3-(Diethylsulfamoylamino)-1,1,1-trifluoro-2-hydroxypropane
CID 103834055
3-(Dipropylsulfamoylamino)-1,1-difluoro-2-hydroxypropane
CID 103836750
3-(Ethylsulfamoylamino)-1,1-difluoropropan-2-ol
CID 103836756
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 103836815
1,1-Difluoro-2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 103836838

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane?
The IUPAC name of 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane (CID 103836857) is 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane.
What is the SMILES notation for 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane?
The canonical SMILES for 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane is CCN(CC)S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane?
The InChIKey is PCNDRNOEUAZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-6(12)7(8)9/h6-7,10,12H,3-5H2,1-2H3.
What are the key properties of 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane?
3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane has a molecular weight of 246.28 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)-1,1-difluoro-2-hydroxypropane is sourced from PubChem (CID 103836857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).