4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide

C11H11NO4S3 — CID 14642289

IUPAC4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO4S3/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyCPVNPDGQJBJFKS-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide

4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 14642289) has the molecular formula C11H11NO4S3 and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide
PubChem CID14642289
Molecular FormulaC11H11NO4S3
Molecular Weight317.41 g/mol
Exact Mass316.99
IUPAC Name4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C11H11NO4S3/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16)
InChIKeyCPVNPDGQJBJFKS-UHFFFAOYSA-N
XLogP1.54
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide (CID 14642289) is 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is CPVNPDGQJBJFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S3/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16).
What are the key properties of 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide?
4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 14642289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).