2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide

C16H20N2O2S — CID 106899187

IUPAC2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-7-9-14(10-8-13)11-18-21(19,20)16-12(2)5-4-6-15(16)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyJSOCBYZGDJZKCY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide

2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide (PubChem CID 106899187) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
PubChem CID106899187
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-7-9-14(10-8-13)11-18-21(19,20)16-12(2)5-4-6-15(16)17/h4-10,18H,3,11,17H2,1-2H3
InChIKeyJSOCBYZGDJZKCY-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

2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide (CID 106899187) is 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2c(C)cccc2N)cc1.
What is the InChIKey of 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide?
The InChIKey is JSOCBYZGDJZKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-7-9-14(10-8-13)11-18-21(19,20)16-12(2)5-4-6-15(16)17/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide?
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide 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 2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 106899187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).