4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide

C11H22F3NO3S — CID 71905535

IUPAC4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-10(2)9-18-7-4-6-15-19(16,17)8-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKVDOMHHOVOHCNJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.31
Rot. Bonds10

About 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide (PubChem CID 71905535) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
PubChem CID71905535
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-10(2)9-18-7-4-6-15-19(16,17)8-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKVDOMHHOVOHCNJ-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide (CID 71905535) is 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide is CC(C)COCCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide?
The InChIKey is KVDOMHHOVOHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-10(2)9-18-7-4-6-15-19(16,17)8-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide is sourced from PubChem (CID 71905535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).