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

C11H13ClF3NO2S2 — CID 102750481

IUPAC2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H13ClF3NO2S2/c1-7-5-19-9(4-12)10(7)20(17,18)16(8-2-3-8)6-11(13,14)15/h5,8H,2-4,6H2,1H3
InChIKeyJPCDMGAGFBLQRC-UHFFFAOYSA-N
MW347.81 g/mol
LogP3.51
Rot. Bonds5

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

2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102750481) has the molecular formula C11H13ClF3NO2S2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102750481
Molecular FormulaC11H13ClF3NO2S2
Molecular Weight347.81 g/mol
Exact Mass347.00
IUPAC Name2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H13ClF3NO2S2/c1-7-5-19-9(4-12)10(7)20(17,18)16(8-2-3-8)6-11(13,14)15/h5,8H,2-4,6H2,1H3
InChIKeyJPCDMGAGFBLQRC-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 53.51
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-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102750481) is 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CCl)c1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is JPCDMGAGFBLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2S2/c1-7-5-19-9(4-12)10(7)20(17,18)16(8-2-3-8)6-11(13,14)15/h5,8H,2-4,6H2,1H3.
What are the key properties of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 347.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).