N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide

C14H14Cl2N2O2S — CID 63237501

IUPACN-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-2-1-3-13(16)14(12)21(19,20)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9,17H2
InChIKeyRUFRUSAIXMISMI-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide

N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide (PubChem CID 63237501) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
PubChem CID63237501
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
SMILESNc1ccc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-2-1-3-13(16)14(12)21(19,20)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9,17H2
InChIKeyRUFRUSAIXMISMI-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(2,6-dichlorophenyl)ethyl]benzenesulfonamide
CID 9150572
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
N-[2-(4-aminophenyl)ethyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120715784
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide (CID 63237501) is N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide is Nc1ccc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide?
The InChIKey is RUFRUSAIXMISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-12-2-1-3-13(16)14(12)21(19,20)18-9-8-10-4-6-11(17)7-5-10/h1-7,18H,8-9,17H2.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide?
N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 63237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).