2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

C12H19Cl2N3O2S — CID 43255854

IUPAC2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6,15H2,1-2H3
InChIKeyGFMVCODVFCXWLZ-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide

2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 43255854) has the molecular formula C12H19Cl2N3O2S and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID43255854
Molecular FormulaC12H19Cl2N3O2S
Molecular Weight340.28 g/mol
Exact Mass339.06
IUPAC Name2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H19Cl2N3O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6,15H2,1-2H3
InChIKeyGFMVCODVFCXWLZ-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636292
2-amino-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
CID 103170957
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 43255854) is 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is GFMVCODVFCXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2N3O2S/c1-3-17(4-2)6-5-16-20(18,19)12-10(14)7-9(13)8-11(12)15/h7-8,16H,3-6,15H2,1-2H3.
What are the key properties of 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 340.28 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43255854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).