N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide

C11H20F3NO3S — CID 102847488

IUPACN-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)6-2-9-19(17,18)15(7-3-8-16)10-4-1-5-10/h10,16H,1-9H2
InChIKeyDFJVVGXMDFMEDP-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.90
Rot. Bonds8

About N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide

N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide (PubChem CID 102847488) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide
PubChem CID102847488
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC NameN-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)6-2-9-19(17,18)15(7-3-8-16)10-4-1-5-10/h10,16H,1-9H2
InChIKeyDFJVVGXMDFMEDP-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide?
The IUPAC name of N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide (CID 102847488) is N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide?
The InChIKey is DFJVVGXMDFMEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c12-11(13,14)6-2-9-19(17,18)15(7-3-8-16)10-4-1-5-10/h10,16H,1-9H2.
What are the key properties of N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide?
N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4,4,4-trifluoro-N-(3-hydroxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 102847488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).