6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide

C16H20N2O2S — CID 43257782

IUPAC6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-12(3)11(2)9-10-14(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyRIKOSFSPZBEGMI-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.25
Rot. Bonds4

About 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43257782) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43257782
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-12(3)11(2)9-10-14(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyRIKOSFSPZBEGMI-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.25
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

6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059244
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide (CID 43257782) is 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is RIKOSFSPZBEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-7-5-6-8-15(13)18-21(19,20)16-12(3)11(2)9-10-14(16)17/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43257782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).