(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine

C14H14ClNO2S — CID 9161767

IUPAC(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m0/s1
InChIKeyRNKZQLMXLUKBDR-AWEZNQCLSA-N
MW295.79 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine

(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine (PubChem CID 9161767) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
PubChem CID9161767
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m0/s1
InChIKeyRNKZQLMXLUKBDR-AWEZNQCLSA-N
XLogP2.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
1-chloro-4-(5-methylsulfonyl-1-phenylpentyl)sulfonylbenzene
CID 23028576
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 9167712
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
1-[benzenesulfonyl(nitro)methyl]-4-chlorobenzene
CID 122377377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine (CID 9161767) is (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine is NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine?
The InChIKey is RNKZQLMXLUKBDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-6-8-13(9-7-12)19(17,18)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2/t14-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine?
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine has a molecular weight of 295.79 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine is sourced from PubChem (CID 9161767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).