2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide

C8H4Cl2F7NO2S2 — CID 3824178

IUPAC2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H4Cl2F7NO2S2/c9-4-1-3(5(10)21-4)22(19,20)18-2-6(11,12)7(13,14)8(15,16)17/h1,18H,2H2
InChIKeyNHNYSCKLYXRQQG-UHFFFAOYSA-N
MW414.15 g/mol
LogP4.17
Rot. Bonds5

About 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide (PubChem CID 3824178) has the molecular formula C8H4Cl2F7NO2S2 and a molecular weight of 414.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide
PubChem CID3824178
Molecular FormulaC8H4Cl2F7NO2S2
Molecular Weight414.15 g/mol
Exact Mass412.89
IUPAC Name2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H4Cl2F7NO2S2/c9-4-1-3(5(10)21-4)22(19,20)18-2-6(11,12)7(13,14)8(15,16)17/h1,18H,2H2
InChIKeyNHNYSCKLYXRQQG-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide (CID 3824178) is 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide is O=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide?
The InChIKey is NHNYSCKLYXRQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F7NO2S2/c9-4-1-3(5(10)21-4)22(19,20)18-2-6(11,12)7(13,14)8(15,16)17/h1,18H,2H2.
What are the key properties of 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide has a molecular weight of 414.15 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2,3,3,4,4,4-heptafluorobutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3824178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).