[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium

C16H20NO3S+ — CID 9161856

IUPAC[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-12-4-3-5-13(10-12)16(11-17)21(18,19)15-8-6-14(20-2)7-9-15/h3-10,16H,11,17H2,1-2H3/p+1/t16-/m0/s1
InChIKeyDCTOUNABCNAELR-INIZCTEOSA-O
MW306.41 g/mol
LogP1.76
Rot. Bonds5

About [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium

[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium (PubChem CID 9161856) has the molecular formula C16H20NO3S+ and a molecular weight of 306.41 g/mol. Its IUPAC name is [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
PubChem CID9161856
Molecular FormulaC16H20NO3S+
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
SMILESCOc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO3S/c1-12-4-3-5-13(10-12)16(11-17)21(18,19)15-8-6-14(20-2)7-9-15/h3-10,16H,11,17H2,1-2H3/p+1/t16-/m0/s1
InChIKeyDCTOUNABCNAELR-INIZCTEOSA-O
XLogP1.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
[(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
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
CID 2884181

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The IUPAC name of [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium (CID 9161856) is [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The canonical SMILES for [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium is COc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccc(C)c2)cc1.
What is the InChIKey of [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
The InChIKey is DCTOUNABCNAELR-INIZCTEOSA-O. The full InChI is InChI=1S/C16H19NO3S/c1-12-4-3-5-13(10-12)16(11-17)21(18,19)15-8-6-14(20-2)7-9-15/h3-10,16H,11,17H2,1-2H3/p+1/t16-/m0/s1.
What are the key properties of [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium?
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium has a molecular weight of 306.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium is sourced from PubChem (CID 9161856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).