2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide

C15H18N2O3S — CID 61126103

IUPAC2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-6-4-5-12(10-13)17-21(18,19)15-8-7-11(2)9-14(15)16/h4-10,17H,3,16H2,1-2H3
InChIKeyYVTXCMLCRIDLSD-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide

2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 61126103) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID61126103
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-6-4-5-12(10-13)17-21(18,19)15-8-7-11(2)9-14(15)16/h4-10,17H,3,16H2,1-2H3
InChIKeyYVTXCMLCRIDLSD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
CID 61125731
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100691508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide (CID 61126103) is 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccc(C)cc2N)c1.
What is the InChIKey of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is YVTXCMLCRIDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-13-6-4-5-12(10-13)17-21(18,19)15-8-7-11(2)9-14(15)16/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide?
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61126103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).