N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H14N2O3S — CID 6042730

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-5-7-14(8-6-11)20(18,19)16-15-10-12-3-2-4-13(17)9-12/h2-10,16-17H,1H3/b15-10-
InChIKeyZYTGGZGVQXNPMR-GDNBJRDFSA-N
MW290.34 g/mol
LogP2.01
Rot. Bonds4

About N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6042730) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID6042730
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11-5-7-14(8-6-11)20(18,19)16-15-10-12-3-2-4-13(17)9-12/h2-10,16-17H,1H3/b15-10-
InChIKeyZYTGGZGVQXNPMR-GDNBJRDFSA-N
XLogP2.01
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
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-[(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2692691
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 170774954
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135783691
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 1369575
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 136849979

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 6042730) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2)cc1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is ZYTGGZGVQXNPMR-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11-5-7-14(8-6-11)20(18,19)16-15-10-12-3-2-4-13(17)9-12/h2-10,16-17H,1H3/b15-10-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6042730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).