N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide

C7H14F3NO3S — CID 61448476

IUPACN-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-3-4-11(5-6-12)15(13,14)7(8,9)10/h12H,2-6H2,1H3
InChIKeyADIPQZACUALUKM-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.93
Rot. Bonds6

About N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide

N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 61448476) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID61448476
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC NameN-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-3-4-11(5-6-12)15(13,14)7(8,9)10/h12H,2-6H2,1H3
InChIKeyADIPQZACUALUKM-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide (CID 61448476) is N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is ADIPQZACUALUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-2-3-4-11(5-6-12)15(13,14)7(8,9)10/h12H,2-6H2,1H3.
What are the key properties of N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide?
N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 61448476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).