1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine

C21H22N2O2S — CID 68639421

IUPAC1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine
SMILESCc1ccccc1S(=O)(=O)C(N)(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-16-10-8-9-15-19(16)26(24,25)21(23,18-13-6-3-7-14-18)20(22)17-11-4-2-5-12-17/h2-15,20H,22-23H2,1H3
InChIKeyGTSGWURBLNTEBZ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.28
Rot. Bonds5

About 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine

1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine (PubChem CID 68639421) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine
PubChem CID68639421
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine
SMILESCc1ccccc1S(=O)(=O)C(N)(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C21H22N2O2S/c1-16-10-8-9-15-19(16)26(24,25)21(23,18-13-6-3-7-14-18)20(22)17-11-4-2-5-12-17/h2-15,20H,22-23H2,1H3
InChIKeyGTSGWURBLNTEBZ-UHFFFAOYSA-N
XLogP3.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol
CID 19804765
(1S,2S)-1-[4-(2-methylphenyl)sulfonylphenyl]-2-phenylethane-1,2-diamine
CID 67042946
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
2-methyl-6-(1-phenylethylsulfonyl)aniline
CID 81187771
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid;(1S)-1-phenylethane-1,2-diol
CID 159660362
2,6-diamino-2-(2-methylphenyl)sulfonylhexanoic acid
CID 174493821
2-methylbenzenesulfonic acid;propane-1,2,3-triol
CID 174914041
N-[(1S,2S)-2-amino-1-chloro-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,3,5-trimethylbenzene
CID 161117073
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
2-methylbenzenesulfonic acid
CID 6925
1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
CID 57170440

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine (CID 68639421) is 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine is Cc1ccccc1S(=O)(=O)C(N)(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine?
The InChIKey is GTSGWURBLNTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-16-10-8-9-15-19(16)26(24,25)21(23,18-13-6-3-7-14-18)20(22)17-11-4-2-5-12-17/h2-15,20H,22-23H2,1H3.
What are the key properties of 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine?
1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine has a molecular weight of 366.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 68639421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).