2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole

C15H14N2O2S2 — CID 162415671

IUPAC2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-12-7-9-14(10-8-12)21(18,19)17-16-15(11-20-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyVOVIAILCJQQAGF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole

2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole (PubChem CID 162415671) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole
PubChem CID162415671
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole
SMILESCc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-12-7-9-14(10-8-12)21(18,19)17-16-15(11-20-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyVOVIAILCJQQAGF-UHFFFAOYSA-N
XLogP3.05
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
2-(4-methylphenyl)sulfonyl-6-phenylpyridazin-3-one
CID 13482071
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
3-benzyl-2-(4-methylphenyl)sulfonyl-4,6-diphenyl-4,5-dihydrotriazine
CID 11145301
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 102531502
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one
CID 13482072
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole (CID 162415671) is 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole is Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)CS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole?
The InChIKey is VOVIAILCJQQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-12-7-9-14(10-8-12)21(18,19)17-16-15(11-20-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole?
2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole has a molecular weight of 318.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-4-phenyl-5H-thiadiazole is sourced from PubChem (CID 162415671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).