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

C16H20N2O2S — CID 64682575

IUPAC3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-3-13-6-4-5-7-14(13)11-18-21(19,20)16-9-12(2)8-15(17)10-16/h4-10,18H,3,11,17H2,1-2H3
InChIKeySKQOAHNLGHSJTD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide

3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide (PubChem CID 64682575) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
PubChem CID64682575
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-3-13-6-4-5-7-14(13)11-18-21(19,20)16-9-12(2)8-15(17)10-16/h4-10,18H,3,11,17H2,1-2H3
InChIKeySKQOAHNLGHSJTD-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

3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-amino-4-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60904241
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide (CID 64682575) is 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide is CCc1ccccc1CNS(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is SKQOAHNLGHSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13-6-4-5-7-14(13)11-18-21(19,20)16-9-12(2)8-15(17)10-16/h4-10,18H,3,11,17H2,1-2H3.
What are the key properties of 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide?
3-amino-N-[(2-ethylphenyl)methyl]-5-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 3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 64682575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).