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

C16H20N2O2S — CID 62002580

IUPAC4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(N)cc2C)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-5-7-15(12(2)9-11)18(4)21(19,20)16-8-6-14(17)10-13(16)3/h5-10H,17H2,1-4H3
InChIKeyKXIDZQAISUKOLC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.02
Rot. Bonds3

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

4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 62002580) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
PubChem CID62002580
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(N)cc2C)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-5-7-15(12(2)9-11)18(4)21(19,20)16-8-6-14(17)10-13(16)3/h5-10H,17H2,1-4H3
InChIKeyKXIDZQAISUKOLC-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.02
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

4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
4-amino-N-(3,5-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002768
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62003332
3-amino-N-(2,4-dimethylphenyl)-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 62002771
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
CID 165486376
(2,4-dimethylphenyl)-methylsulfamic acid
CID 19750978
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
3-amino-N-(2,4-dimethylphenyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358817

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide (CID 62002580) is 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(N)cc2C)c(C)c1.
What is the InChIKey of 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is KXIDZQAISUKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-7-15(12(2)9-11)18(4)21(19,20)16-8-6-14(17)10-13(16)3/h5-10H,17H2,1-4H3.
What are the key properties of 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide?
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 62002580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).