2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H15ClF3NO2S2 — CID 102750484

IUPAC2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C11H15ClF3NO2S2/c1-3-4-16(7-11(13,14)15)20(17,18)10-8(2)6-19-9(10)5-12/h6H,3-5,7H2,1-2H3
InChIKeyFCLAFJDYKOFKBM-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.76
Rot. Bonds6

About 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102750484) has the molecular formula C11H15ClF3NO2S2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102750484
Molecular FormulaC11H15ClF3NO2S2
Molecular Weight349.83 g/mol
Exact Mass349.02
IUPAC Name2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C11H15ClF3NO2S2/c1-3-4-16(7-11(13,14)15)20(17,18)10-8(2)6-19-9(10)5-12/h6H,3-5,7H2,1-2H3
InChIKeyFCLAFJDYKOFKBM-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102750484) is 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is FCLAFJDYKOFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3NO2S2/c1-3-4-16(7-11(13,14)15)20(17,18)10-8(2)6-19-9(10)5-12/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 349.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).