5-methylthiophene-2,4-disulfonamide

C5H8N2O4S3 — CID 600438

IUPAC5-methylthiophene-2,4-disulfonamide
SMILESCc1sc(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C5H8N2O4S3/c1-3-4(13(6,8)9)2-5(12-3)14(7,10)11/h2H,1H3,(H2,6,8,9)(H2,7,10,11)
InChIKeyWGEMYMCGGYWLQB-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.65
Rot. Bonds2

About 5-methylthiophene-2,4-disulfonamide

5-methylthiophene-2,4-disulfonamide (PubChem CID 600438) has the molecular formula C5H8N2O4S3 and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-methylthiophene-2,4-disulfonamide.

Molecular Properties

Compound Name5-methylthiophene-2,4-disulfonamide
PubChem CID600438
Molecular FormulaC5H8N2O4S3
Molecular Weight256.33 g/mol
Exact Mass255.96
IUPAC Name5-methylthiophene-2,4-disulfonamide
SMILESCc1sc(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C5H8N2O4S3/c1-3-4(13(6,8)9)2-5(12-3)14(7,10)11/h2H,1H3,(H2,6,8,9)(H2,7,10,11)
InChIKeyWGEMYMCGGYWLQB-UHFFFAOYSA-N
XLogP-0.65
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylthiophene-2,4-disulfonamide?
The IUPAC name of 5-methylthiophene-2,4-disulfonamide (CID 600438) is 5-methylthiophene-2,4-disulfonamide.
What is the SMILES notation for 5-methylthiophene-2,4-disulfonamide?
The canonical SMILES for 5-methylthiophene-2,4-disulfonamide is Cc1sc(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-methylthiophene-2,4-disulfonamide?
The InChIKey is WGEMYMCGGYWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4S3/c1-3-4(13(6,8)9)2-5(12-3)14(7,10)11/h2H,1H3,(H2,6,8,9)(H2,7,10,11).
What are the key properties of 5-methylthiophene-2,4-disulfonamide?
5-methylthiophene-2,4-disulfonamide has a molecular weight of 256.33 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiophene-2,4-disulfonamide is sourced from PubChem (CID 600438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).