2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane

C7H16F2N2O3S — CID 163274879

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane
SMILESCCC(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C7H16F2N2O3S/c1-3-6(2)11(15(10,13)14)4-7(8,9)5-12/h6,12H,3-5H2,1-2H3,(H2,10,13,14)
InChIKeyIHTFQVHMDIIDDD-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.08
Rot. Bonds6

About 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane

2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane (PubChem CID 163274879) has the molecular formula C7H16F2N2O3S and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane
PubChem CID163274879
Molecular FormulaC7H16F2N2O3S
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane
SMILESCCC(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C7H16F2N2O3S/c1-3-6(2)11(15(10,13)14)4-7(8,9)5-12/h6,12H,3-5H2,1-2H3,(H2,10,13,14)
InChIKeyIHTFQVHMDIIDDD-UHFFFAOYSA-N
XLogP-0.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane (CID 163274879) is 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane is CCC(C)N(CC(F)(F)CO)S(N)(=O)=O.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane?
The InChIKey is IHTFQVHMDIIDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O3S/c1-3-6(2)11(15(10,13)14)4-7(8,9)5-12/h6,12H,3-5H2,1-2H3,(H2,10,13,14).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane?
2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane has a molecular weight of 246.28 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)-sulfamoylamino]butane is sourced from PubChem (CID 163274879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).