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

C10H13ClF3NO2S2 — CID 102750480

IUPAC2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C10H13ClF3NO2S2/c1-3-15(6-10(12,13)14)19(16,17)9-7(2)5-18-8(9)4-11/h5H,3-4,6H2,1-2H3
InChIKeyDXRISBNAOXJSSI-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.37
Rot. Bonds5

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

2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102750480) has the molecular formula C10H13ClF3NO2S2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102750480
Molecular FormulaC10H13ClF3NO2S2
Molecular Weight335.80 g/mol
Exact Mass335.00
IUPAC Name2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C10H13ClF3NO2S2/c1-3-15(6-10(12,13)14)19(16,17)9-7(2)5-18-8(9)4-11/h5H,3-4,6H2,1-2H3
InChIKeyDXRISBNAOXJSSI-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.37
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)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102750480) is 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is DXRISBNAOXJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO2S2/c1-3-15(6-10(12,13)14)19(16,17)9-7(2)5-18-8(9)4-11/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 335.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).