2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine

C15H16ClNO2S — CID 115796252

IUPAC2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-20(18,19)13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3
InChIKeyPTQPFBRVVHLAPB-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine

2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 115796252) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID115796252
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-20(18,19)13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3
InChIKeyPTQPFBRVVHLAPB-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 106866158
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115842561
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 102867542
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(1,3-benzoxazol-2-yl)-4-(2-chlorophenyl)-3-(4-methylsulfonylphenyl)butan-2-one
CID 158088031
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine (CID 115796252) is 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1ccc(C(N)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is PTQPFBRVVHLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-20(18,19)13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine?
2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 309.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 115796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).