[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

C20H18N2O3S — CID 26012790

IUPAC[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2ccc(/C=N\Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-16-7-13-20(14-8-16)26(23,24)25-19-11-9-17(10-12-19)15-21-22-18-5-3-2-4-6-18/h2-15,22H,1H3/b21-15-
InChIKeySAIVUUQYQOGPKS-QNGOZBTKSA-N
MW366.44 g/mol
LogP4.21
Rot. Bonds6

About [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate (PubChem CID 26012790) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
PubChem CID26012790
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2ccc(/C=N\Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-16-7-13-20(14-8-16)26(23,24)25-19-11-9-17(10-12-19)15-21-22-18-5-3-2-4-6-18/h2-15,22H,1H3/b21-15-
InChIKeySAIVUUQYQOGPKS-QNGOZBTKSA-N
XLogP4.21
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[3-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 124850551
[3-[(E)-(phenylhydrazinylidene)methyl]-5-(1-phenyltriazol-4-yl)phenyl] 4-methylbenzenesulfonate
CID 177460501
[4-[(Z)-[[2-benzyl-3-[(2Z)-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6151740
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
[4-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6043565
[4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 91972467
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
[4-[(2,5-dimethylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126220484
[4-[(2,3-dimethylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126207241
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 171131934
[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6001808
[4-[(carbamothioylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 5194053

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The IUPAC name of [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate (CID 26012790) is [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate.
What is the SMILES notation for [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The canonical SMILES for [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)Oc2ccc(/C=N\Nc3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate?
The InChIKey is SAIVUUQYQOGPKS-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-16-7-13-20(14-8-16)26(23,24)25-19-11-9-17(10-12-19)15-21-22-18-5-3-2-4-6-18/h2-15,22H,1H3/b21-15-.
What are the key properties of [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate?
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate has a molecular weight of 366.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 26012790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).