[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium

C15H23Cl2N2O3S+ — CID 8767670

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
SMILESC[NH+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H22Cl2N2O3S/c1-15(2,3)18-14(20)10-19(4)7-8-23(21,22)13-9-11(16)5-6-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)/p+1
InChIKeyYKFPYCXNGAAEKL-UHFFFAOYSA-O
MW382.33 g/mol
LogP1.20
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium (PubChem CID 8767670) has the molecular formula C15H23Cl2N2O3S+ and a molecular weight of 382.33 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
PubChem CID8767670
Molecular FormulaC15H23Cl2N2O3S+
Molecular Weight382.33 g/mol
Exact Mass381.08
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium
SMILESC[NH+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H22Cl2N2O3S/c1-15(2,3)18-14(20)10-19(4)7-8-23(21,22)13-9-11(16)5-6-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)/p+1
InChIKeyYKFPYCXNGAAEKL-UHFFFAOYSA-O
XLogP1.20
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050004
2-(2,5-dichlorophenyl)sulfonylethyl-methyl-[(2-methylphenyl)methyl]azanium
CID 8963732
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8766648
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
2-(2,5-dichlorophenyl)sulfonylethyl-[2-(methylamino)-2-oxoethyl]azanium
CID 8772315
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
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylpentanenitrile
CID 65263232
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium (CID 8767670) is [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium is C[NH+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium?
The InChIKey is YKFPYCXNGAAEKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-15(2,3)18-14(20)10-19(4)7-8-23(21,22)13-9-11(16)5-6-12(13)17/h5-6,9H,7-8,10H2,1-4H3,(H,18,20)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium has a molecular weight of 382.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfonylethyl]-methylazanium is sourced from PubChem (CID 8767670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).