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

C16H20N2O2S — CID 106899180

IUPAC5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-5-7-14(8-6-13)11-18-21(19,20)16-10-15(17)9-4-12(16)2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyQQLGKHPNVSKGEU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds5

About 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide

5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 106899180) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID106899180
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-13-5-7-14(8-6-13)11-18-21(19,20)16-10-15(17)9-4-12(16)2/h4-10,18H,3,11,17H2,1-2H3
InChIKeyQQLGKHPNVSKGEU-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

5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 162727328
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43256679
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide (CID 106899180) is 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is QQLGKHPNVSKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-5-7-14(8-6-13)11-18-21(19,20)16-10-15(17)9-4-12(16)2/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide?
5-amino-N-[(4-ethylphenyl)methyl]-2-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 5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106899180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).