2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

C11H5Cl2F4NO2S2 — CID 3776133

IUPAC2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2F4NO2S2/c12-9-4-8(10(13)21-9)22(19,20)18-7-2-5(11(15,16)17)1-6(14)3-7/h1-4,18H
InChIKeyHJRAKOVINZNXKL-UHFFFAOYSA-N
MW394.20 g/mol
LogP5.01
Rot. Bonds3

About 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 3776133) has the molecular formula C11H5Cl2F4NO2S2 and a molecular weight of 394.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
PubChem CID3776133
Molecular FormulaC11H5Cl2F4NO2S2
Molecular Weight394.20 g/mol
Exact Mass392.91
IUPAC Name2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5Cl2F4NO2S2/c12-9-4-8(10(13)21-9)22(19,20)18-7-2-5(11(15,16)17)1-6(14)3-7/h1-4,18H
InChIKeyHJRAKOVINZNXKL-UHFFFAOYSA-N
XLogP5.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide (CID 3776133) is 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is HJRAKOVINZNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F4NO2S2/c12-9-4-8(10(13)21-9)22(19,20)18-7-2-5(11(15,16)17)1-6(14)3-7/h1-4,18H.
What are the key properties of 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 394.20 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3776133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).