4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide

C18H16N2O2S2 — CID 134997729

IUPAC4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S=c2ccn(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O2S2/c1-15-7-9-18(10-8-15)24(21,22)19-23-17-11-13-20(14-12-17)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyUWKXKGKTYBSAJC-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.97
Rot. Bonds3

About 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide

4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide (PubChem CID 134997729) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide
PubChem CID134997729
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S=c2ccn(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2O2S2/c1-15-7-9-18(10-8-15)24(21,22)19-23-17-11-13-20(14-12-17)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyUWKXKGKTYBSAJC-UHFFFAOYSA-N
XLogP3.97
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
CID 23936503
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
(4-methylphenyl)sulfonyl-(3-phenylimidazol-1-ium-1-yl)azanide
CID 16727044
4-methyl-N-[(1-phenylpyrrol-2-yl)methylidene]benzenesulfonamide
CID 175563015
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole
CID 14006843
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
CID 70423870
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide (CID 134997729) is 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S=c2ccn(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide?
The InChIKey is UWKXKGKTYBSAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-15-7-9-18(10-8-15)24(21,22)19-23-17-11-13-20(14-12-17)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide?
4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 134997729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).