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

C13H20Cl2N2O2S — CID 46457714

IUPAC2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-17(5-2)10(3)9-16-20(18,19)13-11(14)7-6-8-12(13)15/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyVCANLNVZEJQWIU-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.00
Rot. Bonds7

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

2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide (PubChem CID 46457714) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
PubChem CID46457714
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-17(5-2)10(3)9-16-20(18,19)13-11(14)7-6-8-12(13)15/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyVCANLNVZEJQWIU-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
2,6-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46540574
2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 28536185
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide (CID 46457714) is 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
The InChIKey is VCANLNVZEJQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-4-17(5-2)10(3)9-16-20(18,19)13-11(14)7-6-8-12(13)15/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide?
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 46457714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).