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

C9H11ClF3NO2S2 — CID 102750444

IUPAC2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H11ClF3NO2S2/c1-6-4-17-7(3-10)8(6)18(15,16)14(2)5-9(11,12)13/h4H,3,5H2,1-2H3
InChIKeyAWAWUZYNKVFOFW-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.98
Rot. Bonds4

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

2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102750444) has the molecular formula C9H11ClF3NO2S2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102750444
Molecular FormulaC9H11ClF3NO2S2
Molecular Weight321.77 g/mol
Exact Mass320.99
IUPAC Name2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H11ClF3NO2S2/c1-6-4-17-7(3-10)8(6)18(15,16)14(2)5-9(11,12)13/h4H,3,5H2,1-2H3
InChIKeyAWAWUZYNKVFOFW-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.98
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,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102750444) is 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CCl)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is AWAWUZYNKVFOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2S2/c1-6-4-17-7(3-10)8(6)18(15,16)14(2)5-9(11,12)13/h4H,3,5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 321.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).