N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide

C21H19FN2O3S — CID 6872511

IUPACN-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-16-2-12-21(13-3-16)28(25,26)24-23-14-17-6-10-20(11-7-17)27-15-18-4-8-19(22)9-5-18/h2-14,24H,15H2,1H3/b23-14+
InChIKeyKBEMWAXUMLCNAR-OEAKJJBVSA-N
MW398.46 g/mol
LogP4.03
Rot. Bonds7

About N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6872511) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID6872511
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-16-2-12-21(13-3-16)28(25,26)24-23-14-17-6-10-20(11-7-17)27-15-18-4-8-19(22)9-5-18/h2-14,24H,15H2,1H3/b23-14+
InChIKeyKBEMWAXUMLCNAR-OEAKJJBVSA-N
XLogP4.03
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.03
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

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
N'-[(E)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5335248
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
Methyl {4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenoxy}acetate
CID 5350558
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
N'-(4-(Benzyloxy)benzylidene)-4-methylbenzenesulfonohydrazide
CID 5334654
4-[2-(Phenylsulfonyl)carbonohydrazonoyl]phenyl acetate
CID 5349049
4-methyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 5511356
N'-[(E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene]benzenesulfonohydrazide
CID 6883383
4-methyl-N'-[4-(3-thietanyloxy)benzylidene]benzenesulfonohydrazide
CID 6897952

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide (CID 6872511) is N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is KBEMWAXUMLCNAR-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-16-2-12-21(13-3-16)28(25,26)24-23-14-17-6-10-20(11-7-17)27-15-18-4-8-19(22)9-5-18/h2-14,24H,15H2,1H3/b23-14+.
What are the key properties of N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 398.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6872511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).