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

C5H11F2NO3S — CID 43501610

IUPAC1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide
SMILESCCC(CO)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-2-4(3-9)8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3
InChIKeyWSSJJUPGSKMQJE-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.10
Rot. Bonds5

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

1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide (PubChem CID 43501610) has the molecular formula C5H11F2NO3S and a molecular weight of 203.21 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide
PubChem CID43501610
Molecular FormulaC5H11F2NO3S
Molecular Weight203.21 g/mol
Exact Mass203.04
IUPAC Name1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide
SMILESCCC(CO)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-2-4(3-9)8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3
InChIKeyWSSJJUPGSKMQJE-UHFFFAOYSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.10
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-hydroxybutan-2-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide (CID 43501610) is 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide is CCC(CO)NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide?
The InChIKey is WSSJJUPGSKMQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO3S/c1-2-4(3-9)8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide?
1,1-difluoro-N-(1-hydroxybutan-2-yl)methanesulfonamide has a molecular weight of 203.21 g/mol, XLogP of -0.10, 5 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-hydroxybutan-2-yl)methanesulfonamide is sourced from PubChem (CID 43501610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).