4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide

C10H9NO5S3 — CID 14642298

IUPAC4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1
InChIInChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
InChIKeyIGEMDIAQXSOCKX-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.93
Rot. Bonds3

About 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide

4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 14642298) has the molecular formula C10H9NO5S3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID14642298
Molecular FormulaC10H9NO5S3
Molecular Weight319.38 g/mol
Exact Mass318.96
IUPAC Name4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1
InChIInChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
InChIKeyIGEMDIAQXSOCKX-UHFFFAOYSA-N
XLogP0.93
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide (CID 14642298) is 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide is NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is IGEMDIAQXSOCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16).
What are the key properties of 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide?
4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 14642298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).