N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide

C13H11Cl3N2O2S — CID 43593561

IUPACN-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
SMILESNc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-7-8-2-1-3-10(17)4-8/h1-6,18H,7,17H2
InChIKeyOGZDVBPHDDCINW-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.71
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide

N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide (PubChem CID 43593561) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
PubChem CID43593561
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC NameN-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
SMILESNc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-7-8-2-1-3-10(17)4-8/h1-6,18H,7,17H2
InChIKeyOGZDVBPHDDCINW-UHFFFAOYSA-N
XLogP3.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.71
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-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
N-[(3-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 75509038
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 61108348
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
CID 10149841
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
CID 63237501
2,4,6-trichloro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904772
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106265208
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide (CID 43593561) is N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide is Nc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide?
The InChIKey is OGZDVBPHDDCINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c14-9-5-11(15)13(12(16)6-9)21(19,20)18-7-8-2-1-3-10(17)4-8/h1-6,18H,7,17H2.
What are the key properties of N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide?
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide is sourced from PubChem (CID 43593561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).