5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide

C15H18N2O3S — CID 29267050

IUPAC5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(N)ccc2OC)c1
InChIInChI=1S/C15H18N2O3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyNPOMRPXDLXEMOV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.64
Rot. Bonds5

About 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide

5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 29267050) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
PubChem CID29267050
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(N)ccc2OC)c1
InChIInChI=1S/C15H18N2O3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3,16H2,1-2H3
InChIKeyNPOMRPXDLXEMOV-UHFFFAOYSA-N
XLogP2.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3-ethylphenyl)-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

5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide (CID 29267050) is 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide is CCc1cccc(NS(=O)(=O)c2cc(N)ccc2OC)c1.
What is the InChIKey of 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is NPOMRPXDLXEMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-11-5-4-6-13(9-11)17-21(18,19)15-10-12(16)7-8-14(15)20-2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide?
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 29267050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).