N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide

C23H31N3O3S — CID 135699585

IUPACN-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide
SMILESCCCCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-4-5-6-7-11-14-22(25-27)23(20-12-9-8-10-13-20)24-26-30(28,29)21-17-15-19(2)16-18-21/h8-10,12-13,15-18,26-27H,3-7,11,14H2,1-2H3/b24-23-,25-22+
InChIKeyBPPZUCFHZWACGP-SZXZEDJCSA-N
MW429.59 g/mol
LogP5.26
Rot. Bonds12

About N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide

N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 135699585) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide
PubChem CID135699585
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide
SMILESCCCCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O3S/c1-3-4-5-6-7-11-14-22(25-27)23(20-12-9-8-10-13-20)24-26-30(28,29)21-17-15-19(2)16-18-21/h8-10,12-13,15-18,26-27H,3-7,11,14H2,1-2H3/b24-23-,25-22+
InChIKeyBPPZUCFHZWACGP-SZXZEDJCSA-N
XLogP5.26
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(2Z)-2-hydroxyimino-1-(4-propan-2-ylphenyl)hexylidene]amino]-4-methylbenzenesulfonamide
CID 135951920
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-(benzhydrylideneamino)-4-dodecylbenzenesulfonamide
CID 22613565
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
CID 6415851
methyl N-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanehydrazonate
CID 118198075
4-methyl-N-[(E)-[(4-methylphenyl)-(4-nonoxyphenyl)methylidene]amino]benzenesulfonamide
CID 6180358
N-[bis(4-hexoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 102033565
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide (CID 135699585) is N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide is CCCCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is BPPZUCFHZWACGP-SZXZEDJCSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-4-5-6-7-11-14-22(25-27)23(20-12-9-8-10-13-20)24-26-30(28,29)21-17-15-19(2)16-18-21/h8-10,12-13,15-18,26-27H,3-7,11,14H2,1-2H3/b24-23-,25-22+.
What are the key properties of N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide?
N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 429.59 g/mol, XLogP of 5.26, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135699585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).