[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate

C22H21N3O6S — CID 1373230

IUPAC[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
SMILESCOc1ccc(S(=O)(=O)NN=Cc2ccc(OC(=O)Nc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-18-9-11-19(12-10-18)32(27,28)25-23-15-16-8-13-20(21(14-16)30-2)31-22(26)24-17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,24,26)
InChIKeyNVEQNEJOTAJIKB-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.63
Rot. Bonds8

About [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate

[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate (PubChem CID 1373230) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
PubChem CID1373230
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
SMILESCOc1ccc(S(=O)(=O)NN=Cc2ccc(OC(=O)Nc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-18-9-11-19(12-10-18)32(27,28)25-23-15-16-8-13-20(21(14-16)30-2)31-22(26)24-17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,24,26)
InChIKeyNVEQNEJOTAJIKB-UHFFFAOYSA-N
XLogP3.63
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4017016
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 2692698
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517739
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
[2-methoxy-4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 2171015
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 6008417
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate?
The IUPAC name of [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate (CID 1373230) is [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate.
What is the SMILES notation for [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate?
The canonical SMILES for [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate is COc1ccc(S(=O)(=O)NN=Cc2ccc(OC(=O)Nc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate?
The InChIKey is NVEQNEJOTAJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-29-18-9-11-19(12-10-18)32(27,28)25-23-15-16-8-13-20(21(14-16)30-2)31-22(26)24-17-6-4-3-5-7-17/h3-15,25H,1-2H3,(H,24,26).
What are the key properties of [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate?
[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate has a molecular weight of 455.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate is sourced from PubChem (CID 1373230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).