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

C11H11NO2S4 — CID 12736859

IUPAC5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCSc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO2S4/c1-15-8-2-4-9(5-3-8)16-10-6-7-11(17-10)18(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyBTHRGGLOKVUIDS-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.27
Rot. Bonds4

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

5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736859) has the molecular formula C11H11NO2S4 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736859
Molecular FormulaC11H11NO2S4
Molecular Weight317.48 g/mol
Exact Mass316.97
IUPAC Name5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCSc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO2S4/c1-15-8-2-4-9(5-3-8)16-10-6-7-11(17-10)18(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyBTHRGGLOKVUIDS-UHFFFAOYSA-N
XLogP3.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide (CID 12736859) is 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide is CSc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is BTHRGGLOKVUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S4/c1-15-8-2-4-9(5-3-8)16-10-6-7-11(17-10)18(12,13)14/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide?
5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).