N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

C11H20F3NO3S — CID 90554890

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO3S/c1-2-3-8-19(16,17)15(9-11(12,13)14)10-4-6-18-7-5-10/h10H,2-9H2,1H3
InChIKeyCUHQLYMSMKNREE-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.16
Rot. Bonds6

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (PubChem CID 90554890) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
PubChem CID90554890
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO3S/c1-2-3-8-19(16,17)15(9-11(12,13)14)10-4-6-18-7-5-10/h10H,2-9H2,1H3
InChIKeyCUHQLYMSMKNREE-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 89281514
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 61355207
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 61355208
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61384175
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 90554866
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 90554868
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 90554914
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexanesulfonamide
CID 90554931
(2R)-2-methyl-4-(oxan-4-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperazine
CID 137843184
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 21034325

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (CID 90554890) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The InChIKey is CUHQLYMSMKNREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-2-3-8-19(16,17)15(9-11(12,13)14)10-4-6-18-7-5-10/h10H,2-9H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 90554890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).