4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H15NO3S2 — CID 35609869

IUPAC4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2sccc2C)cc1
InChIInChI=1S/C13H15NO3S2/c1-10-7-8-18-13(10)9-14-19(15,16)12-5-3-11(17-2)4-6-12/h3-8,14H,9H2,1-2H3
InChIKeyGNRDLZOTBZPEGB-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.54
Rot. Bonds5

About 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 35609869) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID35609869
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2sccc2C)cc1
InChIInChI=1S/C13H15NO3S2/c1-10-7-8-18-13(10)9-14-19(15,16)12-5-3-11(17-2)4-6-12/h3-8,14H,9H2,1-2H3
InChIKeyGNRDLZOTBZPEGB-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide 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-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 35609869) is 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2sccc2C)cc1.
What is the InChIKey of 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is GNRDLZOTBZPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-7-8-18-13(10)9-14-19(15,16)12-5-3-11(17-2)4-6-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 35609869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).