2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H15NO4S2 — CID 19682467

IUPAC2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccs2)c(OC)c1
InChIInChI=1S/C13H15NO4S2/c1-17-10-5-6-13(12(8-10)18-2)20(15,16)14-9-11-4-3-7-19-11/h3-8,14H,9H2,1-2H3
InChIKeyOIZLFTRRQUNCSM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds6

About 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 19682467) has the molecular formula C13H15NO4S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID19682467
Molecular FormulaC13H15NO4S2
Molecular Weight313.40 g/mol
Exact Mass313.04
IUPAC Name2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccs2)c(OC)c1
InChIInChI=1S/C13H15NO4S2/c1-17-10-5-6-13(12(8-10)18-2)20(15,16)14-9-11-4-3-7-19-11/h3-8,14H,9H2,1-2H3
InChIKeyOIZLFTRRQUNCSM-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
2,4-dimethoxy-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943344
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 19682467) is 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is OIZLFTRRQUNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S2/c1-17-10-5-6-13(12(8-10)18-2)20(15,16)14-9-11-4-3-7-19-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 19682467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).