[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium

C17H22NO5S+ — CID 9167955

IUPAC[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-21-12-4-7-14(8-5-12)24(19,20)17(11-18)15-9-6-13(22-2)10-16(15)23-3/h4-10,17H,11,18H2,1-3H3/p+1/t17-/m1/s1
InChIKeyDZGUCVJIXFWNJO-QGZVFWFLSA-O
MW352.43 g/mol
LogP1.47
Rot. Bonds7

About [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium

[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium (PubChem CID 9167955) has the molecular formula C17H22NO5S+ and a molecular weight of 352.43 g/mol. Its IUPAC name is [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
PubChem CID9167955
Molecular FormulaC17H22NO5S+
Molecular Weight352.43 g/mol
Exact Mass352.12
IUPAC Name[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H21NO5S/c1-21-12-4-7-14(8-5-12)24(19,20)17(11-18)15-9-6-13(22-2)10-16(15)23-3/h4-10,17H,11,18H2,1-3H3/p+1/t17-/m1/s1
InChIKeyDZGUCVJIXFWNJO-QGZVFWFLSA-O
XLogP1.47
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9168537
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The IUPAC name of [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium (CID 9167955) is [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium.
What is the SMILES notation for [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The canonical SMILES for [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium is COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(OC)cc2OC)cc1.
What is the InChIKey of [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The InChIKey is DZGUCVJIXFWNJO-QGZVFWFLSA-O. The full InChI is InChI=1S/C17H21NO5S/c1-21-12-4-7-14(8-5-12)24(19,20)17(11-18)15-9-6-13(22-2)10-16(15)23-3/h4-10,17H,11,18H2,1-3H3/p+1/t17-/m1/s1.
What are the key properties of [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium has a molecular weight of 352.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium is sourced from PubChem (CID 9167955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).