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

C15H18N2O2S — CID 43120010

IUPACN-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)cc2C)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-7-15(12(3)8-10)20(18,19)17-14-6-5-13(16)9-11(14)2/h4-9,17H,16H2,1-3H3
InChIKeyAHPYHEWTWMFDND-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds3

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

N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 43120010) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID43120010
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)cc2C)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-10-4-7-15(12(3)8-10)20(18,19)17-14-6-5-13(16)9-11(14)2/h4-9,17H,16H2,1-3H3
InChIKeyAHPYHEWTWMFDND-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
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-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
5-amino-4-bromo-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114624853
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274
4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62809289
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide (CID 43120010) is N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2C)c(C)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is AHPYHEWTWMFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-4-7-15(12(3)8-10)20(18,19)17-14-6-5-13(16)9-11(14)2/h4-9,17H,16H2,1-3H3.
What are the key properties of N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide?
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43120010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).