N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide

C15H13NO3S — CID 47141612

IUPACN-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H13NO3S/c1-3-12-7-6-8-13(11-12)16-20(17,18)15-10-5-4-9-14(15)19-2/h1,4-11,16H,2H3
InChIKeyFFQQASDCOKIWQT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.48
Rot. Bonds4

About N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide

N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 47141612) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
PubChem CID47141612
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H13NO3S/c1-3-12-7-6-8-13(11-12)16-20(17,18)15-10-5-4-9-14(15)19-2/h1,4-11,16H,2H3
InChIKeyFFQQASDCOKIWQT-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide 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

N-(3-ethynylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60531704
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
(E)-3-[3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 30284590
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
2,5-dichloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 30284577
N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 16962790
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 51093687

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide (CID 47141612) is N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide is C#Cc1cccc(NS(=O)(=O)c2ccccc2OC)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is FFQQASDCOKIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-12-7-6-8-13(11-12)16-20(17,18)15-10-5-4-9-14(15)19-2/h1,4-11,16H,2H3.
What are the key properties of N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide?
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47141612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).