3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C16H20N2O2S — CID 43256286

IUPAC3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-5-12(3)16(13(4)6-10)18-21(19,20)15-8-11(2)7-14(17)9-15/h5-9,18H,17H2,1-4H3
InChIKeyRZORZCIJXGNOGW-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide

3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 43256286) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID43256286
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-10-5-12(3)16(13(4)6-10)18-21(19,20)15-8-11(2)7-14(17)9-15/h5-9,18H,17H2,1-4H3
InChIKeyRZORZCIJXGNOGW-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

3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 43256385
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 107590901
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 43256286) is 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is RZORZCIJXGNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-12(3)16(13(4)6-10)18-21(19,20)15-8-11(2)7-14(17)9-15/h5-9,18H,17H2,1-4H3.
What are the key properties of 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide 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 3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 43256286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).