1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide

C4H9F2NO3S — CID 43502124

IUPAC1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO3S/c1-3(2-8)7-11(9,10)4(5)6/h3-4,7-8H,2H2,1H3
InChIKeyBTSBWOXZJIPPPC-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.49
Rot. Bonds4

About 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide

1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide (PubChem CID 43502124) has the molecular formula C4H9F2NO3S and a molecular weight of 189.18 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
PubChem CID43502124
Molecular FormulaC4H9F2NO3S
Molecular Weight189.18 g/mol
Exact Mass189.03
IUPAC Name1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO3S/c1-3(2-8)7-11(9,10)4(5)6/h3-4,7-8H,2H2,1H3
InChIKeyBTSBWOXZJIPPPC-UHFFFAOYSA-N
XLogP-0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide (CID 43502124) is 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide is CC(CO)NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The InChIKey is BTSBWOXZJIPPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO3S/c1-3(2-8)7-11(9,10)4(5)6/h3-4,7-8H,2H2,1H3.
What are the key properties of 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide has a molecular weight of 189.18 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 43502124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).