[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene

C19H16N2O2S — CID 162399692

IUPAC[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene
SMILESCc1ccc(S(=O)(=O)c2cccc(/N=N/c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N2O2S/c1-15-10-12-18(13-11-15)24(22,23)19-9-5-8-17(14-19)21-20-16-6-3-2-4-7-16/h2-14H,1H3/b21-20+
InChIKeyPIMQJNFQEGNMKT-QZQOTICOSA-N
MW336.42 g/mol
LogP5.24
Rot. Bonds4

About [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene

[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene (PubChem CID 162399692) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene.

Molecular Properties

Compound Name[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene
PubChem CID162399692
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene
SMILESCc1ccc(S(=O)(=O)c2cccc(/N=N/c3ccccc3)c2)cc1
InChIInChI=1S/C19H16N2O2S/c1-15-10-12-18(13-11-15)24(22,23)19-9-5-8-17(14-19)21-20-16-6-3-2-4-7-16/h2-14H,1H3/b21-20+
InChIKeyPIMQJNFQEGNMKT-QZQOTICOSA-N
XLogP5.24
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589
1-[3-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene;1-[4-(3,5-dimethylphenyl)sulfonylphenyl]sulfonyl-3,5-dimethylbenzene
CID 162084371
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
disodium;2-carboxy-4-[[3-[3-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenolate
CID 135409868
CID 57354251
CID 57354251
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene?
The IUPAC name of [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene (CID 162399692) is [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene.
What is the SMILES notation for [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene?
The canonical SMILES for [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene is Cc1ccc(S(=O)(=O)c2cccc(/N=N/c3ccccc3)c2)cc1.
What is the InChIKey of [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene?
The InChIKey is PIMQJNFQEGNMKT-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-15-10-12-18(13-11-15)24(22,23)19-9-5-8-17(14-19)21-20-16-6-3-2-4-7-16/h2-14H,1H3/b21-20+.
What are the key properties of [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene?
[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene has a molecular weight of 336.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene is sourced from PubChem (CID 162399692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).