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

C8H8Cl3F2NO2S2 — CID 107492812

IUPAC2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F
InChIInChI=1S/C8H8Cl3F2NO2S2/c9-1-2-14(4-7(12)13)18(15,16)5-3-6(10)17-8(5)11/h3,7H,1-2,4H2
InChIKeyMHPQGBBVJYLKDL-UHFFFAOYSA-N
MW358.65 g/mol
LogP3.55
Rot. Bonds6

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

2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide (PubChem CID 107492812) has the molecular formula C8H8Cl3F2NO2S2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
PubChem CID107492812
Molecular FormulaC8H8Cl3F2NO2S2
Molecular Weight358.65 g/mol
Exact Mass356.90
IUPAC Name2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F
InChIInChI=1S/C8H8Cl3F2NO2S2/c9-1-2-14(4-7(12)13)18(15,16)5-3-6(10)17-8(5)11/h3,7H,1-2,4H2
InChIKeyMHPQGBBVJYLKDL-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 53.55
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-difluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide (CID 107492812) is 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide is O=S(=O)(c1cc(Cl)sc1Cl)N(CCCl)CC(F)F.
What is the InChIKey of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
The InChIKey is MHPQGBBVJYLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3F2NO2S2/c9-1-2-14(4-7(12)13)18(15,16)5-3-6(10)17-8(5)11/h3,7H,1-2,4H2.
What are the key properties of 2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide has a molecular weight of 358.65 g/mol, XLogP of 3.55, 6 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-difluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).