N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide

C19H24N2O3S — CID 4065035

IUPACN-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide
SMILESCCCCC(=NNS(=O)(=O)c1ccccc1)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-18(17-13-14(2)12-15(3)19(17)22)20-21-25(23,24)16-9-7-6-8-10-16/h6-10,12-13,21-22H,4-5,11H2,1-3H3
InChIKeyRAZUSMGSKICUDW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.88
Rot. Bonds7

About N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide

N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide (PubChem CID 4065035) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide
PubChem CID4065035
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide
SMILESCCCCC(=NNS(=O)(=O)c1ccccc1)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-18(17-13-14(2)12-15(3)19(17)22)20-21-25(23,24)16-9-7-6-8-10-16/h6-10,12-13,21-22H,4-5,11H2,1-3H3
InChIKeyRAZUSMGSKICUDW-UHFFFAOYSA-N
XLogP3.88
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
CID 135589157
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide
CID 135699585
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
4-amino-N-[(Z)-1-phenylpropylideneamino]benzenesulfonamide
CID 5354741
N-[[2-(N-ethylanilino)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 3796492
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
benzenesulfonic acid;nonane
CID 158294552
4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135957990
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide (CID 4065035) is N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide is CCCCC(=NNS(=O)(=O)c1ccccc1)c1cc(C)cc(C)c1O.
What is the InChIKey of N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide?
The InChIKey is RAZUSMGSKICUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-11-18(17-13-14(2)12-15(3)19(17)22)20-21-25(23,24)16-9-7-6-8-10-16/h6-10,12-13,21-22H,4-5,11H2,1-3H3.
What are the key properties of N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide?
N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide is sourced from PubChem (CID 4065035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).