5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide

C11H11NO4S4 — CID 12736861

IUPAC5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO4S4/c1-19(13,14)9-4-2-8(3-5-9)17-10-6-7-11(18-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyZLORPPWOENNUHY-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.95
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide

5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736861) has the molecular formula C11H11NO4S4 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736861
Molecular FormulaC11H11NO4S4
Molecular Weight349.48 g/mol
Exact Mass348.96
IUPAC Name5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO4S4/c1-19(13,14)9-4-2-8(3-5-9)17-10-6-7-11(18-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyZLORPPWOENNUHY-UHFFFAOYSA-N
XLogP1.95
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide (CID 12736861) is 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide is CS(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is ZLORPPWOENNUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S4/c1-19(13,14)9-4-2-8(3-5-9)17-10-6-7-11(18-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16).
What are the key properties of 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide?
5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide has a molecular weight of 349.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).