N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

C21H20N2O3S — CID 1001906

IUPACN-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccccc1COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-17-7-5-6-8-19(17)16-26-20-13-11-18(12-14-20)15-22-23-27(24,25)21-9-3-2-4-10-21/h2-15,23H,16H2,1H3
InChIKeyTXPIXHVXPFCXHG-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.89
Rot. Bonds7

About N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 1001906) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
PubChem CID1001906
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccccc1COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-17-7-5-6-8-19(17)16-26-20-13-11-18(12-14-20)15-22-23-27(24,25)21-9-3-2-4-10-21/h2-15,23H,16H2,1H3
InChIKeyTXPIXHVXPFCXHG-UHFFFAOYSA-N
XLogP3.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517628
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474
5-tert-butyl-2-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110515878
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 124605419
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (CID 1001906) is N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is Cc1ccccc1COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is TXPIXHVXPFCXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-17-7-5-6-8-19(17)16-26-20-13-11-18(12-14-20)15-22-23-27(24,25)21-9-3-2-4-10-21/h2-15,23H,16H2,1H3.
What are the key properties of N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1001906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).