3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol

C5H12F2N2O3S — CID 104858844

IUPAC3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol
SMILESCCNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C5H12F2N2O3S/c1-2-8-13(11,12)9-3-5(6,7)4-10/h8-10H,2-4H2,1H3
InChIKeyUEJGVOCJFLMQMT-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.94
Rot. Bonds6

About 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol

3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol (PubChem CID 104858844) has the molecular formula C5H12F2N2O3S and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol
PubChem CID104858844
Molecular FormulaC5H12F2N2O3S
Molecular Weight218.22 g/mol
Exact Mass218.05
IUPAC Name3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol
SMILESCCNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C5H12F2N2O3S/c1-2-8-13(11,12)9-3-5(6,7)4-10/h8-10H,2-4H2,1H3
InChIKeyUEJGVOCJFLMQMT-UHFFFAOYSA-N
XLogP-0.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol (CID 104858844) is 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol is CCNS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol?
The InChIKey is UEJGVOCJFLMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O3S/c1-2-8-13(11,12)9-3-5(6,7)4-10/h8-10H,2-4H2,1H3.
What are the key properties of 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol?
3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol has a molecular weight of 218.22 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).