2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine

C15H16ClNO3S — CID 64674038

IUPAC2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-7-5-11(6-8-13)15(17)10-21(18,19)14-4-2-3-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyCDMISSZFNCYKQI-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.82
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine

2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64674038) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64674038
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-7-5-11(6-8-13)15(17)10-21(18,19)14-4-2-3-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyCDMISSZFNCYKQI-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
CID 64675228
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
1-(3-chlorophenyl)sulfonyl-3-methylpentan-2-ol
CID 106585027
[(2S)-2-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9162084
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine (CID 64674038) is 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is CDMISSZFNCYKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-13-7-5-11(6-8-13)15(17)10-21(18,19)14-4-2-3-12(16)9-14/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine?
2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 325.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64674038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).