4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide

C13H12N2O2S2 — CID 23936503

IUPAC4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S=Nc2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-11-7-9-13(10-8-11)19(16,17)15-18-14-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyAJWZRBBEBFERNC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.47
Rot. Bonds3

About 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide

4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide (PubChem CID 23936503) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
PubChem CID23936503
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S=Nc2ccccc2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-11-7-9-13(10-8-11)19(16,17)15-18-14-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyAJWZRBBEBFERNC-UHFFFAOYSA-N
XLogP3.47
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
CID 14227314
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
4-methyl-N-[(1-phenyl-4-pyridinylidene)-λ4-sulfanylidene]benzenesulfonamide
CID 134997729
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N-[[(S)-fluoro-(4-methylphenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337609
N-[[(R)-fluoro(phenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86328639
[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene
CID 162399692
4-methyl-N-[2-[(4-methylphenyl)sulfonylimino-diphenyl-λ5-phosphanyl]ethynyl-diphenyl-λ5-phosphanylidene]benzenesulfonamide
CID 134875992
4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide
CID 71375412
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide (CID 23936503) is 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S=Nc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide?
The InChIKey is AJWZRBBEBFERNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-11-7-9-13(10-8-11)19(16,17)15-18-14-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide?
4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide has a molecular weight of 292.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 23936503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).