2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride

C14H18Cl2N2O3S — CID 20982708

IUPAC2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2O3S.2ClH/c1-19-12-4-6-13(7-5-12)20(17,18)14(9-15)11-3-2-8-16-10-11;;/h2-8,10,14H,9,15H2,1H3;2*1H
InChIKeyKPACMIXQEYYWCD-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride

2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride (PubChem CID 20982708) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
PubChem CID20982708
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
SMILESCOc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C14H16N2O3S.2ClH/c1-19-12-4-6-13(7-5-12)20(17,18)14(9-15)11-3-2-8-16-10-11;;/h2-8,10,14H,9,15H2,1H3;2*1H
InChIKeyKPACMIXQEYYWCD-UHFFFAOYSA-N
XLogP2.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
2,5-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40904177
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 42272378
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride (CID 20982708) is 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride is COc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride?
The InChIKey is KPACMIXQEYYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S.2ClH/c1-19-12-4-6-13(7-5-12)20(17,18)14(9-15)11-3-2-8-16-10-11;;/h2-8,10,14H,9,15H2,1H3;2*1H.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride?
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride has a molecular weight of 365.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride is sourced from PubChem (CID 20982708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).