2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine

C15H17NO3S — CID 16642172

IUPAC2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
SMILESCOc1ccc(S(=O)(=O)C(CN)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-13-7-9-14(10-8-13)20(17,18)15(11-16)12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3
InChIKeyWCTRHGHJSIEORZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.17
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine

2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine (PubChem CID 16642172) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
PubChem CID16642172
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
SMILESCOc1ccc(S(=O)(=O)C(CN)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-13-7-9-14(10-8-13)20(17,18)15(11-16)12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3
InChIKeyWCTRHGHJSIEORZ-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 9168217
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-3-phenylpropan-1-one
CID 2884181

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine (CID 16642172) is 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine is COc1ccc(S(=O)(=O)C(CN)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine?
The InChIKey is WCTRHGHJSIEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-13-7-9-14(10-8-13)20(17,18)15(11-16)12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine?
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine is sourced from PubChem (CID 16642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).