N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide

C16H20N2O2S — CID 60972705

IUPACN-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)21(19,20)18-15-6-5-12(3)16(17)13(15)4/h5-9,18H,17H2,1-4H3
InChIKeyZBCGGMMLXHEGMO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide

N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 60972705) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
PubChem CID60972705
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)21(19,20)18-15-6-5-12(3)16(17)13(15)4/h5-9,18H,17H2,1-4H3
InChIKeyZBCGGMMLXHEGMO-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.30
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

N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947886
N-(3-amino-2,4-dimethylphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 60973193
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide (CID 60972705) is N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)Nc2ccc(C)c(N)c2C)c1.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is ZBCGGMMLXHEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-7-11(2)9-14(8-10)21(19,20)18-15-6-5-12(3)16(17)13(15)4/h5-9,18H,17H2,1-4H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide?
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 60972705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).