2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide

C12H11Cl2NO3S2 — CID 2812772

IUPAC2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H11Cl2NO3S2/c13-11-6-10(12(14)19-11)20(17,18)15-7-9(16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2
InChIKeyDULGNNGFMISXLI-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.07
Rot. Bonds5

About 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide (PubChem CID 2812772) has the molecular formula C12H11Cl2NO3S2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide
PubChem CID2812772
Molecular FormulaC12H11Cl2NO3S2
Molecular Weight352.26 g/mol
Exact Mass350.96
IUPAC Name2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H11Cl2NO3S2/c13-11-6-10(12(14)19-11)20(17,18)15-7-9(16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2
InChIKeyDULGNNGFMISXLI-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide (CID 2812772) is 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide is O=S(=O)(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide?
The InChIKey is DULGNNGFMISXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S2/c13-11-6-10(12(14)19-11)20(17,18)15-7-9(16)8-4-2-1-3-5-8/h1-6,9,15-16H,7H2.
What are the key properties of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide has a molecular weight of 352.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 2812772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).