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

C8H9Cl2F2NO2S2 — CID 107492800

IUPAC5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)F
InChIInChI=1S/C8H9Cl2F2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2
InChIKeyUSCWIGSGVFUOQJ-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.90
Rot. Bonds6

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

5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (PubChem CID 107492800) has the molecular formula C8H9Cl2F2NO2S2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
PubChem CID107492800
Molecular FormulaC8H9Cl2F2NO2S2
Molecular Weight324.20 g/mol
Exact Mass322.94
IUPAC Name5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)F
InChIInChI=1S/C8H9Cl2F2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2
InChIKeyUSCWIGSGVFUOQJ-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.90
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-difluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide (CID 107492800) is 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(CCCl)CC(F)F.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
The InChIKey is USCWIGSGVFUOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F2NO2S2/c9-3-4-13(5-7(11)12)17(14,15)8-2-1-6(10)16-8/h1-2,7H,3-5H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide?
5-chloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide has a molecular weight of 324.20 g/mol, XLogP of 2.90, 6 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-difluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107492800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).