4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide

C19H15NO3S2 — CID 24650343

IUPAC4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1
InChIInChI=1S/C19H15NO3S2/c1-23-17-8-11-19(12-9-17)25(21,22)20-16-5-2-4-15(14-16)7-10-18-6-3-13-24-18/h2-6,8-9,11-14,20H,1H3
InChIKeyHPULYGDDRKJDDA-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.96
Rot. Bonds4

About 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide

4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide (PubChem CID 24650343) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
PubChem CID24650343
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC Name4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1
InChIInChI=1S/C19H15NO3S2/c1-23-17-8-11-19(12-9-17)25(21,22)20-16-5-2-4-15(14-16)7-10-18-6-3-13-24-18/h2-6,8-9,11-14,20H,1H3
InChIKeyHPULYGDDRKJDDA-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]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

4-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]benzoic acid
CID 24662927
2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650358
2-[2-(4-methoxyphenyl)ethynyl]thiophene
CID 46218240
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24650347
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
CID 4749902
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
3-[2-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]ethynyl]benzoic acid
CID 25358850
N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
methyl 3-[2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]ethynyl]benzoate
CID 31787522
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide (CID 24650343) is 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide?
The InChIKey is HPULYGDDRKJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c1-23-17-8-11-19(12-9-17)25(21,22)20-16-5-2-4-15(14-16)7-10-18-6-3-13-24-18/h2-6,8-9,11-14,20H,1H3.
What are the key properties of 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide?
4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide has a molecular weight of 369.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24650343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).