2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide

C13H19Cl3N2O2S — CID 55871539

IUPAC2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-4-18(5-2)9(3)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyLDOKKZCMACUSRU-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.66
Rot. Bonds7

About 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide

2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide (PubChem CID 55871539) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
PubChem CID55871539
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC Name2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-4-18(5-2)9(3)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyLDOKKZCMACUSRU-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
CID 61060580
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide (CID 55871539) is 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The InChIKey is LDOKKZCMACUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl3N2O2S/c1-4-18(5-2)9(3)8-17-21(19,20)13-11(15)6-10(14)7-12(13)16/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide has a molecular weight of 373.73 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 55871539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).