5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C8H8Cl2F3NO2S2 — CID 107492999

IUPAC5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H8Cl2F3NO2S2/c9-3-4-14(5-8(11,12)13)18(15,16)7-2-1-6(10)17-7/h1-2H,3-5H2
InChIKeySGNOSAWZJSWVFL-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.19
Rot. Bonds5

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

5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 107492999) has the molecular formula C8H8Cl2F3NO2S2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID107492999
Molecular FormulaC8H8Cl2F3NO2S2
Molecular Weight342.19 g/mol
Exact Mass340.93
IUPAC Name5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C8H8Cl2F3NO2S2/c9-3-4-14(5-8(11,12)13)18(15,16)7-2-1-6(10)17-7/h1-2H,3-5H2
InChIKeySGNOSAWZJSWVFL-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.19
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 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 107492999) is 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)(F)F.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is SGNOSAWZJSWVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F3NO2S2/c9-3-4-14(5-8(11,12)13)18(15,16)7-2-1-6(10)17-7/h1-2H,3-5H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 342.19 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107492999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).