2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide

C13H13Cl2NO2S2 — CID 3724974

IUPAC2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-2-10(9-6-4-3-5-7-9)16-20(17,18)11-8-12(14)19-13(11)15/h3-8,10,16H,2H2,1H3
InChIKeyMIQJBONHVBZBHI-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.48
Rot. Bonds5

About 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide (PubChem CID 3724974) has the molecular formula C13H13Cl2NO2S2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide
PubChem CID3724974
Molecular FormulaC13H13Cl2NO2S2
Molecular Weight350.29 g/mol
Exact Mass348.98
IUPAC Name2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-2-10(9-6-4-3-5-7-9)16-20(17,18)11-8-12(14)19-13(11)15/h3-8,10,16H,2H2,1H3
InChIKeyMIQJBONHVBZBHI-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.48
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-(1-phenylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide (CID 3724974) is 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide is CCC(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1.
What is the InChIKey of 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide?
The InChIKey is MIQJBONHVBZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2S2/c1-2-10(9-6-4-3-5-7-9)16-20(17,18)11-8-12(14)19-13(11)15/h3-8,10,16H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide has a molecular weight of 350.29 g/mol, XLogP of 4.48, 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-(1-phenylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3724974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).