4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide

C7H11NO3S3 — CID 14700391

IUPAC4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide
SMILESCSc1sc(S(N)(=O)=O)cc1C(C)O
InChIInChI=1S/C7H11NO3S3/c1-4(9)5-3-6(14(8,10)11)13-7(5)12-2/h3-4,9H,1-2H3,(H2,8,10,11)
InChIKeyDBGNPXJZUODLDD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.17
Rot. Bonds3

About 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide

4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide (PubChem CID 14700391) has the molecular formula C7H11NO3S3 and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide
PubChem CID14700391
Molecular FormulaC7H11NO3S3
Molecular Weight253.37 g/mol
Exact Mass252.99
IUPAC Name4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide
SMILESCSc1sc(S(N)(=O)=O)cc1C(C)O
InChIInChI=1S/C7H11NO3S3/c1-4(9)5-3-6(14(8,10)11)13-7(5)12-2/h3-4,9H,1-2H3,(H2,8,10,11)
InChIKeyDBGNPXJZUODLDD-UHFFFAOYSA-N
XLogP1.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide (CID 14700391) is 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide is CSc1sc(S(N)(=O)=O)cc1C(C)O.
What is the InChIKey of 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide?
The InChIKey is DBGNPXJZUODLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S3/c1-4(9)5-3-6(14(8,10)11)13-7(5)12-2/h3-4,9H,1-2H3,(H2,8,10,11).
What are the key properties of 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide?
4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide has a molecular weight of 253.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 14700391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).