2,5-dichloro-N-phenylthiophene-3-sulfonamide

C10H7Cl2NO2S2 — CID 29098931

IUPAC2,5-dichloro-N-phenylthiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO2S2/c11-9-6-8(10(12)16-9)17(14,15)13-7-4-2-1-3-5-7/h1-6,13H
InChIKeyILXABJHIVUDACG-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.86
Rot. Bonds3

About 2,5-dichloro-N-phenylthiophene-3-sulfonamide

2,5-dichloro-N-phenylthiophene-3-sulfonamide (PubChem CID 29098931) has the molecular formula C10H7Cl2NO2S2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,5-dichloro-N-phenylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-phenylthiophene-3-sulfonamide
PubChem CID29098931
Molecular FormulaC10H7Cl2NO2S2
Molecular Weight308.21 g/mol
Exact Mass306.93
IUPAC Name2,5-dichloro-N-phenylthiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl2NO2S2/c11-9-6-8(10(12)16-9)17(14,15)13-7-4-2-1-3-5-7/h1-6,13H
InChIKeyILXABJHIVUDACG-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.86
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-phenylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-phenylthiophene-3-sulfonamide (CID 29098931) is 2,5-dichloro-N-phenylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-phenylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-phenylthiophene-3-sulfonamide is O=S(=O)(Nc1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-phenylthiophene-3-sulfonamide?
The InChIKey is ILXABJHIVUDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S2/c11-9-6-8(10(12)16-9)17(14,15)13-7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of 2,5-dichloro-N-phenylthiophene-3-sulfonamide?
2,5-dichloro-N-phenylthiophene-3-sulfonamide has a molecular weight of 308.21 g/mol, XLogP of 3.86, 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-phenylthiophene-3-sulfonamide is sourced from PubChem (CID 29098931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).