2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide

C12H7Cl2F4NO3S2 — CID 3780712

IUPAC2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H7Cl2F4NO3S2/c13-9-5-8(10(14)23-9)24(20,21)19-6-1-3-7(4-2-6)22-12(17,18)11(15)16/h1-5,11,19H
InChIKeyFKXUUUJEVUBION-UHFFFAOYSA-N
MW424.22 g/mol
LogP5.09
Rot. Bonds6

About 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide (PubChem CID 3780712) has the molecular formula C12H7Cl2F4NO3S2 and a molecular weight of 424.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide
PubChem CID3780712
Molecular FormulaC12H7Cl2F4NO3S2
Molecular Weight424.22 g/mol
Exact Mass422.92
IUPAC Name2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H7Cl2F4NO3S2/c13-9-5-8(10(14)23-9)24(20,21)19-6-1-3-7(4-2-6)22-12(17,18)11(15)16/h1-5,11,19H
InChIKeyFKXUUUJEVUBION-UHFFFAOYSA-N
XLogP5.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide (CID 3780712) is 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide?
The InChIKey is FKXUUUJEVUBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F4NO3S2/c13-9-5-8(10(14)23-9)24(20,21)19-6-1-3-7(4-2-6)22-12(17,18)11(15)16/h1-5,11,19H.
What are the key properties of 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide has a molecular weight of 424.22 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3780712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).