4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide

C16H20N2O2S — CID 43258104

IUPAC4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-5-6-11(2)16(13)18-21(19,20)15-9-8-14(17)10-12(15)3/h5-10,18H,4,17H2,1-3H3
InChIKeyVJZFDXDKLQBVLS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.25
Rot. Bonds4

About 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide

4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 43258104) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID43258104
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2O2S/c1-4-13-7-5-6-11(2)16(13)18-21(19,20)15-9-8-14(17)10-12(15)3/h5-10,18H,4,17H2,1-3H3
InChIKeyVJZFDXDKLQBVLS-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

4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 43258171
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18151538
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide (CID 43258104) is 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is VJZFDXDKLQBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-7-5-6-11(2)16(13)18-21(19,20)15-9-8-14(17)10-12(15)3/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide?
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide 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 4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43258104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).