2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine

C15H16ClNO2S — CID 16642213

IUPAC2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)C(CN)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)15(10-17)13-4-2-3-5-14(13)16/h2-9,15H,10,17H2,1H3
InChIKeyGQPPRZJQALJXOM-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine

2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine (PubChem CID 16642213) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
PubChem CID16642213
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)C(CN)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)15(10-17)13-4-2-3-5-14(13)16/h2-9,15H,10,17H2,1H3
InChIKeyGQPPRZJQALJXOM-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 9168030
1-chloro-2-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 97291138
1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
CID 54519335
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
[(2S)-2-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylethyl]azanium
CID 9167321
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
1-chloro-2-[(4-methylphenyl)sulfonylsulfanylmethyl]benzene
CID 23464236

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine (CID 16642213) is 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine is Cc1ccc(S(=O)(=O)C(CN)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine?
The InChIKey is GQPPRZJQALJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-6-8-12(9-7-11)20(18,19)15(10-17)13-4-2-3-5-14(13)16/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine?
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine has a molecular weight of 309.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 16642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).