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

C15H18N2O3S — CID 3310244

IUPAC5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-8-6-13(7-9-14)17-21(18,19)15-10-12(16)5-4-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyCBBGPWPJNGICPR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.78
Rot. Bonds5

About 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide

5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 3310244) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID3310244
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-8-6-13(7-9-14)17-21(18,19)15-10-12(16)5-4-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyCBBGPWPJNGICPR-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
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 76870673
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide (CID 3310244) is 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is CBBGPWPJNGICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-14-8-6-13(7-9-14)17-21(18,19)15-10-12(16)5-4-11(15)2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(4-ethoxyphenyl)-2-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 5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 3310244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).