2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol

C4H10F2N2O3S — CID 106170334

IUPAC2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol
SMILESCNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C4H10F2N2O3S/c1-7-12(10,11)8-2-4(5,6)3-9/h7-9H,2-3H2,1H3
InChIKeyWAPNLDIHCKOLQD-UHFFFAOYSA-N
MW204.20 g/mol
LogP-1.33
Rot. Bonds5

About 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol

2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol (PubChem CID 106170334) has the molecular formula C4H10F2N2O3S and a molecular weight of 204.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol
PubChem CID106170334
Molecular FormulaC4H10F2N2O3S
Molecular Weight204.20 g/mol
Exact Mass204.04
IUPAC Name2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol
SMILESCNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C4H10F2N2O3S/c1-7-12(10,11)8-2-4(5,6)3-9/h7-9H,2-3H2,1H3
InChIKeyWAPNLDIHCKOLQD-UHFFFAOYSA-N
XLogP-1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol (CID 106170334) is 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol is CNS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol?
The InChIKey is WAPNLDIHCKOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O3S/c1-7-12(10,11)8-2-4(5,6)3-9/h7-9H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol?
2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol has a molecular weight of 204.20 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(methylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 106170334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).