2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide

C16H20N2O2S — CID 62003518

IUPAC2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-13-6-8-14(9-7-13)18(3)21(19,20)16-10-5-12(2)11-15(16)17/h5-11H,4,17H2,1-3H3
InChIKeyLJYHQPZWDCWEBN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide

2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 62003518) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID62003518
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-13-6-8-14(9-7-13)18(3)21(19,20)16-10-5-12(2)11-15(16)17/h5-11H,4,17H2,1-3H3
InChIKeyLJYHQPZWDCWEBN-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
CID 62001628
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
3-amino-N-(4-ethylphenyl)-N-methylpyridine-2-sulfonamide
CID 103305325
2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 61112179
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide (CID 62003518) is 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide is CCc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2N)cc1.
What is the InChIKey of 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is LJYHQPZWDCWEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-13-6-8-14(9-7-13)18(3)21(19,20)16-10-5-12(2)11-15(16)17/h5-11H,4,17H2,1-3H3.
What are the key properties of 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide?
2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylphenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62003518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).