2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C8H7Cl3F3NO2S2 — CID 107493010

IUPAC2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H7Cl3F3NO2S2/c9-1-2-15(4-8(12,13)14)19(16,17)5-3-6(10)18-7(5)11/h3H,1-2,4H2
InChIKeyXQGNQHHXZDFTCT-UHFFFAOYSA-N
MW376.64 g/mol
LogP3.85
Rot. Bonds5

About 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 107493010) has the molecular formula C8H7Cl3F3NO2S2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID107493010
Molecular FormulaC8H7Cl3F3NO2S2
Molecular Weight376.64 g/mol
Exact Mass374.89
IUPAC Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H7Cl3F3NO2S2/c9-1-2-15(4-8(12,13)14)19(16,17)5-3-6(10)18-7(5)11/h3H,1-2,4H2
InChIKeyXQGNQHHXZDFTCT-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 53.85
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 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 107493010) is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is O=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)(F)F.
What is the InChIKey of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is XQGNQHHXZDFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3F3NO2S2/c9-1-2-15(4-8(12,13)14)19(16,17)5-3-6(10)18-7(5)11/h3H,1-2,4H2.
What are the key properties of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 376.64 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107493010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).