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

C11H11NO2S3 — CID 12736850

IUPAC5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCc1ccccc1Sc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H11NO2S3/c1-8-4-2-3-5-9(8)15-10-6-7-11(16-10)17(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyDBGGIPGMBYQLMK-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.86
Rot. Bonds3

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

5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736850) has the molecular formula C11H11NO2S3 and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736850
Molecular FormulaC11H11NO2S3
Molecular Weight285.42 g/mol
Exact Mass285.00
IUPAC Name5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCc1ccccc1Sc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H11NO2S3/c1-8-4-2-3-5-9(8)15-10-6-7-11(16-10)17(12,13)14/h2-7H,1H3,(H2,12,13,14)
InChIKeyDBGGIPGMBYQLMK-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-(2-methylphenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide (CID 12736850) is 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide is Cc1ccccc1Sc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-(2-methylphenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is DBGGIPGMBYQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S3/c1-8-4-2-3-5-9(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-(2-methylphenyl)sulfanylthiophene-2-sulfonamide?
5-(2-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-(2-methylphenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).