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

C6H14F2N2O3S — CID 104858881

IUPAC2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol
SMILESCC(C)NS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C6H14F2N2O3S/c1-5(2)10-14(12,13)9-3-6(7,8)4-11/h5,9-11H,3-4H2,1-2H3
InChIKeyLDFAVRCACHHMIX-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.55
Rot. Bonds6

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

2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol (PubChem CID 104858881) has the molecular formula C6H14F2N2O3S and a molecular weight of 232.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol
PubChem CID104858881
Molecular FormulaC6H14F2N2O3S
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol
SMILESCC(C)NS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C6H14F2N2O3S/c1-5(2)10-14(12,13)9-3-6(7,8)4-11/h5,9-11H,3-4H2,1-2H3
InChIKeyLDFAVRCACHHMIX-UHFFFAOYSA-N
XLogP-0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.55
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-(propan-2-ylsulfamoylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol (CID 104858881) is 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol is CC(C)NS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol?
The InChIKey is LDFAVRCACHHMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O3S/c1-5(2)10-14(12,13)9-3-6(7,8)4-11/h5,9-11H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol?
2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol has a molecular weight of 232.25 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 104858881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).