4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide

C9H16F3NO3S — CID 83059096

IUPAC4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CC(O)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)2-1-3-17(15,16)13-6-7-4-8(14)5-7/h7-8,13-14H,1-6H2
InChIKeyIGQSYATYOXMRCM-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.02
Rot. Bonds6

About 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide (PubChem CID 83059096) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide
PubChem CID83059096
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CC(O)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)2-1-3-17(15,16)13-6-7-4-8(14)5-7/h7-8,13-14H,1-6H2
InChIKeyIGQSYATYOXMRCM-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66005885
N-(2-ethyl-4-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058094
N-(2-cyclopropyl-2-hydroxyethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058645
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutane-1-sulfonamide
CID 83059097
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butane-1-sulfonamide
CID 83059411
N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943158
4,4,4-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)butane-1-sulfonamide
CID 103943160
4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butane-1-sulfonamide
CID 103943210
4,4,4-trifluoro-N-(4-hydroxypentyl)butane-1-sulfonamide
CID 107271186
3-fluoro-N-(4-hydroxy-2-methylpentyl)propane-1-sulfonamide
CID 112408276
4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide
CID 113356070

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide (CID 83059096) is 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1CC(O)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide?
The InChIKey is IGQSYATYOXMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)2-1-3-17(15,16)13-6-7-4-8(14)5-7/h7-8,13-14H,1-6H2.
What are the key properties of 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 83059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).