(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine

C21H22N2O2S — CID 132939131

IUPAC(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCS(=O)(=O)c1ccccc1N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-26(24,25)19-15-9-8-14-18(19)23-21(17-12-6-3-7-13-17)20(22)16-10-4-2-5-11-16/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
InChIKeyLRLGTQZWUIGCTR-SFTDATJTSA-N
MW366.49 g/mol
LogP3.94
Rot. Bonds6

About (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine

(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 132939131) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine
PubChem CID132939131
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCS(=O)(=O)c1ccccc1N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-26(24,25)19-15-9-8-14-18(19)23-21(17-12-6-3-7-13-17)20(22)16-10-4-2-5-11-16/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
InChIKeyLRLGTQZWUIGCTR-SFTDATJTSA-N
XLogP3.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
CID 80505453
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2-(2-methylsulfonylanilino)propanamide
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2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
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N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
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N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
CID 71744476
sodium 2-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonate
CID 58915463
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
N-methyl-2-methylsulfonylaniline;hydrochloride
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methyl 2-(2-methylsulfonylanilino)butanoate
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2-(2-methylsulfonylanilino)-3-phenylpropanoic acid
CID 70086717

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine (CID 132939131) is (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine is CS(=O)(=O)c1ccccc1N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.
What is the InChIKey of (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is LRLGTQZWUIGCTR-SFTDATJTSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-26(24,25)19-15-9-8-14-18(19)23-21(17-12-6-3-7-13-17)20(22)16-10-4-2-5-11-16/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine?
(1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine has a molecular weight of 366.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N'-(2-methylsulfonylphenyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 132939131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).