2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium

C11H15Cl2N2O3S+ — CID 8772315

IUPAC2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-14-11(16)7-15-4-5-19(17,18)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)/p+1
InChIKeyQMMINYNIAWDKKR-UHFFFAOYSA-O
MW326.23 g/mol
LogP0.08
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium

2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8772315) has the molecular formula C11H15Cl2N2O3S+ and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8772315
Molecular FormulaC11H15Cl2N2O3S+
Molecular Weight326.23 g/mol
Exact Mass325.02
IUPAC Name2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-14-11(16)7-15-4-5-19(17,18)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)/p+1
InChIKeyQMMINYNIAWDKKR-UHFFFAOYSA-O
XLogP0.08
TPSA79.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 50.08
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

[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]azanium
CID 9335013
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
CID 8767670
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050004
3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
CID 126223702
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
3-(2,5-dichlorophenyl)sulfonyl-N-propylpropan-1-amine
CID 64641245
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643110
(1S)-N-[2-(2,5-dichlorophenyl)sulfonylethyl]-1-(furan-2-yl)ethanamine
CID 8920650
[4-(2,5-dichlorophenyl)sulfonylbutan-2-ylideneamino]thiourea
CID 2835384
2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 27219471
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium (CID 8772315) is 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is QMMINYNIAWDKKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-14-11(16)7-15-4-5-19(17,18)10-6-8(12)2-3-9(10)13/h2-3,6,15H,4-5,7H2,1H3,(H,14,16)/p+1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium?
2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 326.23 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8772315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).