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

C11H11NO2S3 — CID 12736851

IUPAC5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO2S3/c1-8-2-4-9(5-3-8)15-10-6-7-11(16-10)17(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyMRHRXJUZBCJFFF-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.86
Rot. Bonds3

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

5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736851) has the molecular formula C11H11NO2S3 and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736851
Molecular FormulaC11H11NO2S3
Molecular Weight285.42 g/mol
Exact Mass285.00
IUPAC Name5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H11NO2S3/c1-8-2-4-9(5-3-8)15-10-6-7-11(16-10)17(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyMRHRXJUZBCJFFF-UHFFFAOYSA-N
XLogP2.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide (CID 12736851) is 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide is Cc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is MRHRXJUZBCJFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S3/c1-8-2-4-9(5-3-8)15-10-6-7-11(16-10)17(12,13)14/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide?
5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide has a molecular weight of 285.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).