3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide

C11H14Cl2N2O3S — CID 38426855

IUPAC3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-19(17,18)15-6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyGTQPQOIYTQGKJM-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.66
Rot. Bonds6

About 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide

3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide (PubChem CID 38426855) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
PubChem CID38426855
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-19(17,18)15-6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyGTQPQOIYTQGKJM-UHFFFAOYSA-N
XLogP1.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide (CID 38426855) is 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide is CCS(=O)(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide?
The InChIKey is GTQPQOIYTQGKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-2-19(17,18)15-6-5-14-11(16)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide?
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide has a molecular weight of 325.22 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 38426855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).