1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane

C8H18F2N2O3S — CID 104858854

IUPAC1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane
SMILESCCCCN(C)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H18F2N2O3S/c1-3-4-5-12(2)16(14,15)11-6-8(9,10)7-13/h11,13H,3-7H2,1-2H3
InChIKeyFQYZHZAWZZJHGJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.18
Rot. Bonds8

About 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane

1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane (PubChem CID 104858854) has the molecular formula C8H18F2N2O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane.

Molecular Properties

Compound Name1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane
PubChem CID104858854
Molecular FormulaC8H18F2N2O3S
Molecular Weight260.31 g/mol
Exact Mass260.10
IUPAC Name1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane
SMILESCCCCN(C)S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H18F2N2O3S/c1-3-4-5-12(2)16(14,15)11-6-8(9,10)7-13/h11,13H,3-7H2,1-2H3
InChIKeyFQYZHZAWZZJHGJ-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane?
The IUPAC name of 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane (CID 104858854) is 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane.
What is the SMILES notation for 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane?
The canonical SMILES for 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane is CCCCN(C)S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane?
The InChIKey is FQYZHZAWZZJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O3S/c1-3-4-5-12(2)16(14,15)11-6-8(9,10)7-13/h11,13H,3-7H2,1-2H3.
What are the key properties of 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane?
1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane has a molecular weight of 260.31 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]butane is sourced from PubChem (CID 104858854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).