1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine

C15H18N2O2S — CID 43447936

IUPAC1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
SMILESCCN(c1ccccc1)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C15H18N2O2S/c1-3-17(12-7-5-4-6-8-12)15-10-9-13(11-14(15)16)20(2,18)19/h4-11H,3,16H2,1-2H3
InChIKeyGQCHTIVOBGUDER-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds4

About 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine

1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine (PubChem CID 43447936) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
PubChem CID43447936
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
SMILESCCN(c1ccccc1)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C15H18N2O2S/c1-3-17(12-7-5-4-6-8-12)15-10-9-13(11-14(15)16)20(2,18)19/h4-11H,3,16H2,1-2H3
InChIKeyGQCHTIVOBGUDER-UHFFFAOYSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
3-amino-4-(N-ethylanilino)benzoic acid
CID 54888270
3-amino-4-(N-methylanilino)benzenesulfonamide;propane
CID 144610169
1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
1-(2-amino-N-ethyl-4-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79381958
1-N-ethyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 79477025
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
1-N-ethyl-1-N-phenyl-4-piperidin-1-ylbenzene-1,2-diamine
CID 28809955
2-[2-amino-N-(cyanomethyl)-4-methylsulfonylanilino]acetonitrile
CID 43382624
1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 61427697
1-N-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine (CID 43447936) is 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine is CCN(c1ccccc1)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine?
The InChIKey is GQCHTIVOBGUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-17(12-7-5-4-6-8-12)15-10-9-13(11-14(15)16)20(2,18)19/h4-11H,3,16H2,1-2H3.
What are the key properties of 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine?
1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 43447936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).