4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine

C19H18N2OS — CID 100976473

IUPAC4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCS(=O)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N2OS/c1-23(22)19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
InChIKeyLNACTIJZFMIXPC-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.91
Rot. Bonds5

About 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 100976473) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID100976473
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCS(=O)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C19H18N2OS/c1-23(22)19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
InChIKeyLNACTIJZFMIXPC-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfinylphenyl)hydrazine
CID 23470341
methyl-(4-methylsulfinylphenyl)-phenylsulfanium
CID 16695717
azane;N-phenylaniline
CID 67074378
2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 58604149
N'-phenylmethanesulfinohydrazide
CID 141009109
N-(4-methylsulfinylphenyl)pyridine-2-carbothioamide
CID 14510237
hydrazine;N-phenylaniline
CID 159755629
N-(2,2-dimethylpropyl)-4-[(R)-methylsulfinyl]aniline
CID 97236643
N-phenyl-4-(sulfonylamino)aniline;toluene
CID 88633160
sodium;dimethylazanide;N-phenylaniline
CID 87793775
cumene;methylsulfinylbenzene
CID 143291926
N-phenylaniline;sulfuric acid
CID 11486

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine (CID 100976473) is 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine is CS(=O)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is LNACTIJZFMIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-23(22)19-13-11-18(12-14-19)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3.
What are the key properties of 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 322.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 100976473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).