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

C7H16F2N2O3S — CID 104858823

IUPAC1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-7(8,9)6-12/h10,12H,3-6H2,1-2H3
InChIKeyBRSWIJDAZNIGGW-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.21
Rot. Bonds7

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

1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane (PubChem CID 104858823) has the molecular formula C7H16F2N2O3S and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
PubChem CID104858823
Molecular FormulaC7H16F2N2O3S
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
SMILESCCN(CC)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-7(8,9)6-12/h10,12H,3-6H2,1-2H3
InChIKeyBRSWIJDAZNIGGW-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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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The IUPAC name of 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane (CID 104858823) is 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The canonical SMILES for 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane is CCN(CC)S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
The InChIKey is BRSWIJDAZNIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O3S/c1-3-11(4-2)15(13,14)10-5-7(8,9)6-12/h10,12H,3-6H2,1-2H3.
What are the key properties of 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane?
1-(diethylsulfamoylamino)-2,2-difluoro-3-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 1-(diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane is sourced from PubChem (CID 104858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).