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

C10H5Cl4NO2S2 — CID 18282859

IUPAC2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5Cl4NO2S2/c11-5-1-2-7(6(12)3-5)15-19(16,17)8-4-9(13)18-10(8)14/h1-4,15H
InChIKeyVBLQAZGTTAVCNL-UHFFFAOYSA-N
MW377.10 g/mol
LogP5.16
Rot. Bonds3

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

2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide (PubChem CID 18282859) has the molecular formula C10H5Cl4NO2S2 and a molecular weight of 377.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
PubChem CID18282859
Molecular FormulaC10H5Cl4NO2S2
Molecular Weight377.10 g/mol
Exact Mass374.85
IUPAC Name2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H5Cl4NO2S2/c11-5-1-2-7(6(12)3-5)15-19(16,17)8-4-9(13)18-10(8)14/h1-4,15H
InChIKeyVBLQAZGTTAVCNL-UHFFFAOYSA-N
XLogP5.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.10
LogP ≤ 55.16
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-(2,4-dichlorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide (CID 18282859) is 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide?
The InChIKey is VBLQAZGTTAVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4NO2S2/c11-5-1-2-7(6(12)3-5)15-19(16,17)8-4-9(13)18-10(8)14/h1-4,15H.
What are the key properties of 2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide has a molecular weight of 377.10 g/mol, XLogP of 5.16, 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-(2,4-dichlorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 18282859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).