2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide

C13H11Cl3N2O2S — CID 43258819

IUPAC2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-3-12(11(17)4-7)21(19,20)18-13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3
InChIKeyZYLDPXRZVOYKSZ-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.34
Rot. Bonds3

About 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide

2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide (PubChem CID 43258819) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
PubChem CID43258819
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-3-12(11(17)4-7)21(19,20)18-13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3
InChIKeyZYLDPXRZVOYKSZ-UHFFFAOYSA-N
XLogP4.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.34
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

2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
N-(4a,8a-dihydroquinolin-8-yl)-2-amino-4-methylbenzenesulfonamide
CID 126516498
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
N-(2-amino-4,6-dichlorophenyl)methanesulfonamide
CID 16774025

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide (CID 43258819) is 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
The InChIKey is ZYLDPXRZVOYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-7-2-3-12(11(17)4-7)21(19,20)18-13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide?
2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43258819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).