3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C16H20N2O2S — CID 60904241

IUPAC3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccc2C)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-13-8-9-15(10-16(13)17)21(19,20)18-11-14-7-5-4-6-12(14)2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyOBYMTJJBIKOUML-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 60904241) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID60904241
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccc2C)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-13-8-9-15(10-16(13)17)21(19,20)18-11-14-7-5-4-6-12(14)2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyOBYMTJJBIKOUML-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9302037
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
CID 64682575

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 60904241) is 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccccc2C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is OBYMTJJBIKOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-8-9-15(10-16(13)17)21(19,20)18-11-14-7-5-4-6-12(14)2/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60904241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).