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

C15H18N2O3S — CID 61125171

IUPAC5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(N)ccc2C)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-6-4-5-13(10-14)17-21(18,19)15-9-12(16)8-7-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyAINSDOHYNXRWJR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.78
Rot. Bonds5

About 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide

5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 61125171) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID61125171
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(N)ccc2C)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-14-6-4-5-13(10-14)17-21(18,19)15-9-12(16)8-7-11(15)2/h4-10,17H,3,16H2,1-2H3
InChIKeyAINSDOHYNXRWJR-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-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
CID 61125731
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide (CID 61125171) is 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2cc(N)ccc2C)c1.
What is the InChIKey of 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is AINSDOHYNXRWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-14-6-4-5-13(10-14)17-21(18,19)15-9-12(16)8-7-11(15)2/h4-10,17H,3,16H2,1-2H3.
What are the key properties of 5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(3-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-(3-ethoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).