2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide

C13H20Cl2N2O3S — CID 106019442

IUPAC2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1c(Cl)ccc(S(=O)(=O)NCCOCC)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-3-16-9-10-11(14)5-6-12(13(10)15)21(18,19)17-7-8-20-4-2/h5-6,16-17H,3-4,7-9H2,1-2H3
InChIKeyOPGZQNBQDQZFFV-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.42
Rot. Bonds9

About 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide

2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106019442) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
PubChem CID106019442
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC Name2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1c(Cl)ccc(S(=O)(=O)NCCOCC)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-3-16-9-10-11(14)5-6-12(13(10)15)21(18,19)17-7-8-20-4-2/h5-6,16-17H,3-4,7-9H2,1-2H3
InChIKeyOPGZQNBQDQZFFV-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077414
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
2,4-dichloro-3-(methylaminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066154
N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 60844392
3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
CID 6457529
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide (CID 106019442) is 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide is CCNCc1c(Cl)ccc(S(=O)(=O)NCCOCC)c1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is OPGZQNBQDQZFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O3S/c1-3-16-9-10-11(14)5-6-12(13(10)15)21(18,19)17-7-8-20-4-2/h5-6,16-17H,3-4,7-9H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide?
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 355.29 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106019442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).