4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide

C16H14N2O2S3 — CID 135082600

IUPAC4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=c2/scc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H14N2O2S3/c1-12-7-9-14(10-8-12)23(19,20)18-17-16-21-11-15(22-16)13-5-3-2-4-6-13/h2-11,18H,1H3/b17-16-
InChIKeyOWWQVTIPQTYXHV-MSUUIHNZSA-N
MW362.50 g/mol
LogP3.58
Rot. Bonds4

About 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide

4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide (PubChem CID 135082600) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide
PubChem CID135082600
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC Name4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=c2/scc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H14N2O2S3/c1-12-7-9-14(10-8-12)23(19,20)18-17-16-21-11-15(22-16)13-5-3-2-4-6-13/h2-11,18H,1H3/b17-16-
InChIKeyOWWQVTIPQTYXHV-MSUUIHNZSA-N
XLogP3.58
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
N-[(E)-(2,2-dimethyl-4-propan-2-ylidenethietan-3-ylidene)amino]-4-methylbenzenesulfonamide
CID 134973307
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
azulene;4-methylbenzenesulfonic acid
CID 172756596
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[[(1R,4R,6S,9S)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienylidene]amino]benzenesulfonamide
CID 98164119
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide (CID 135082600) is 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=c2/scc(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide?
The InChIKey is OWWQVTIPQTYXHV-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2S3/c1-12-7-9-14(10-8-12)23(19,20)18-17-16-21-11-15(22-16)13-5-3-2-4-6-13/h2-11,18H,1H3/b17-16-.
What are the key properties of 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide?
4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(4-phenyl-1,3-dithiol-2-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 135082600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).