(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide

C22H21NO3S — CID 110518890

IUPAC(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(COc2ccccc2/C=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-20(22)15-23-27(24,25)21-13-9-18(2)10-14-21/h3-15H,16H2,1-2H3/b23-15-
InChIKeyUNSKBRWFNCICHS-HAHDFKILSA-N
MW379.48 g/mol
LogP4.69
Rot. Bonds6

About (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide

(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide (PubChem CID 110518890) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
PubChem CID110518890
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
SMILESCc1ccc(COc2ccccc2/C=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-20(22)15-23-27(24,25)21-13-9-18(2)10-14-21/h3-15H,16H2,1-2H3/b23-15-
InChIKeyUNSKBRWFNCICHS-HAHDFKILSA-N
XLogP4.69
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
(Z)-1-[2-[(4-methylphenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 112537955
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4153906
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
2-(benzenesulfonyl)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 5043605
4-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110508933
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 71417577
3-[2-[(4-bromophenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 4162653
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3733371

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide (CID 110518890) is (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide is Cc1ccc(COc2ccccc2/C=N\S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide?
The InChIKey is UNSKBRWFNCICHS-HAHDFKILSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-20(22)15-23-27(24,25)21-13-9-18(2)10-14-21/h3-15H,16H2,1-2H3/b23-15-.
What are the key properties of (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide is sourced from PubChem (CID 110518890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).