[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium

C19H27N2O3S+ — CID 9168537

IUPAC[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCCN(CC)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-21(5-2)16-8-6-15(7-9-16)19(14-20)25(22,23)18-12-10-17(24-3)11-13-18/h6-13,19H,4-5,14,20H2,1-3H3/p+1/t19-/m1/s1
InChIKeyKACLDZMDIQZOCG-LJQANCHMSA-O
MW363.50 g/mol
LogP2.30
Rot. Bonds8

About [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium

[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium (PubChem CID 9168537) has the molecular formula C19H27N2O3S+ and a molecular weight of 363.50 g/mol. Its IUPAC name is [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium
PubChem CID9168537
Molecular FormulaC19H27N2O3S+
Molecular Weight363.50 g/mol
Exact Mass363.17
IUPAC Name[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCCN(CC)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-21(5-2)16-8-6-15(7-9-16)19(14-20)25(22,23)18-12-10-17(24-3)11-13-18/h6-13,19H,4-5,14,20H2,1-3H3/p+1/t19-/m1/s1
InChIKeyKACLDZMDIQZOCG-LJQANCHMSA-O
XLogP2.30
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9168510
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644
[(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-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167955
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]cyclopropanecarboxamide
CID 9160026
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]-N-methyloxamide
CID 9160093
1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
CID 57294942
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 9168217

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The IUPAC name of [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium (CID 9168537) is [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium.
What is the SMILES notation for [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The canonical SMILES for [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium is CCN(CC)c1ccc([C@@H](C[NH3+])S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The InChIKey is KACLDZMDIQZOCG-LJQANCHMSA-O. The full InChI is InChI=1S/C19H26N2O3S/c1-4-21(5-2)16-8-6-15(7-9-16)19(14-20)25(22,23)18-12-10-17(24-3)11-13-18/h6-13,19H,4-5,14,20H2,1-3H3/p+1/t19-/m1/s1.
What are the key properties of [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium?
[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium has a molecular weight of 363.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium is sourced from PubChem (CID 9168537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).