[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium

C15H17ClNO3S+ — CID 9162084

IUPAC[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-5-7-14(8-6-13)21(18,19)15(10-17)11-3-2-4-12(16)9-11/h2-9,15H,10,17H2,1H3/p+1/t15-/m1/s1
InChIKeyZVQIMXVKCJSBAC-OAHLLOKOSA-O
MW326.83 g/mol
LogP2.11
Rot. Bonds5

About [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium

[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium (PubChem CID 9162084) has the molecular formula C15H17ClNO3S+ and a molecular weight of 326.83 g/mol. Its IUPAC name is [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
PubChem CID9162084
Molecular FormulaC15H17ClNO3S+
Molecular Weight326.83 g/mol
Exact Mass326.06
IUPAC Name[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-5-7-14(8-6-13)21(18,19)15(10-17)11-3-2-4-12(16)9-11/h2-9,15H,10,17H2,1H3/p+1/t15-/m1/s1
InChIKeyZVQIMXVKCJSBAC-OAHLLOKOSA-O
XLogP2.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
[(2R)-2-(3-chlorophenyl)-2-(4-fluorophenyl)sulfonylethyl]azanium
CID 9162066
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644
[(2S)-2-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167955
[(2S)-2-[4-(diethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9168537
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
1-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]-3-methoxybenzene
CID 59750762
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
CID 61081166

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The IUPAC name of [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium (CID 9162084) is [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium.
What is the SMILES notation for [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The canonical SMILES for [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium is COc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccc(Cl)c2)cc1.
What is the InChIKey of [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
The InChIKey is ZVQIMXVKCJSBAC-OAHLLOKOSA-O. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-13-5-7-14(8-6-13)21(18,19)15(10-17)11-3-2-4-12(16)9-11/h2-9,15H,10,17H2,1H3/p+1/t15-/m1/s1.
What are the key properties of [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium?
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium has a molecular weight of 326.83 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium is sourced from PubChem (CID 9162084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).