5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide

C12H11NO5S3 — CID 12736904

IUPAC5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1
InChIInChI=1S/C12H11NO5S3/c1-8(14)9-3-2-4-10(7-9)20(15,16)11-5-6-12(19-11)21(13,17)18/h2-7H,1H3,(H2,13,17,18)
InChIKeyKTVSBNOAYQIBGL-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.43
Rot. Bonds4

About 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide

5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 12736904) has the molecular formula C12H11NO5S3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID12736904
Molecular FormulaC12H11NO5S3
Molecular Weight345.42 g/mol
Exact Mass344.98
IUPAC Name5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1
InChIInChI=1S/C12H11NO5S3/c1-8(14)9-3-2-4-10(7-9)20(15,16)11-5-6-12(19-11)21(13,17)18/h2-7H,1H3,(H2,13,17,18)
InChIKeyKTVSBNOAYQIBGL-UHFFFAOYSA-N
XLogP1.43
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide (CID 12736904) is 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide is CC(=O)c1cccc(S(=O)(=O)c2ccc(S(N)(=O)=O)s2)c1.
What is the InChIKey of 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is KTVSBNOAYQIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S3/c1-8(14)9-3-2-4-10(7-9)20(15,16)11-5-6-12(19-11)21(13,17)18/h2-7H,1H3,(H2,13,17,18).
What are the key properties of 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide?
5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 12736904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).