N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide

C19H23N5O5S2 — CID 136734384

IUPACN-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCC(=N/NS(=O)(=O)c1ccc(C)cc1)/C(=N/O)C(/C)=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N5O5S2/c1-13-5-9-17(10-6-13)30(26,27)23-20-15(3)19(22-25)16(4)21-24-31(28,29)18-11-7-14(2)8-12-18/h5-12,23-25H,1-4H3/b20-15-,21-16+,22-19-
InChIKeyPTTHDPNMEMGSNC-PZPGQKTASA-N
MW465.56 g/mol
LogP2.14
Rot. Bonds8

About N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide

N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 136734384) has the molecular formula C19H23N5O5S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
PubChem CID136734384
Molecular FormulaC19H23N5O5S2
Molecular Weight465.56 g/mol
Exact Mass465.11
IUPAC NameN-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
SMILESCC(=N/NS(=O)(=O)c1ccc(C)cc1)/C(=N/O)C(/C)=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23N5O5S2/c1-13-5-9-17(10-6-13)30(26,27)23-20-15(3)19(22-25)16(4)21-24-31(28,29)18-11-7-14(2)8-12-18/h5-12,23-25H,1-4H3/b20-15-,21-16+,22-19-
InChIKeyPTTHDPNMEMGSNC-PZPGQKTASA-N
XLogP2.14
TPSA149.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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)-[(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)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(Z)-(1-dimethoxyphosphoryl-2,3-dimethylbut-2-enylidene)amino]-4-methylbenzenesulfonamide
CID 134877215
dimethyl 2-[(4-methylphenyl)sulfonylhydrazinylidene]butanedioate
CID 2798179
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide (CID 136734384) is N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide is CC(=N/NS(=O)(=O)c1ccc(C)cc1)/C(=N/O)C(/C)=N/NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is PTTHDPNMEMGSNC-PZPGQKTASA-N. The full InChI is InChI=1S/C19H23N5O5S2/c1-13-5-9-17(10-6-13)30(26,27)23-20-15(3)19(22-25)16(4)21-24-31(28,29)18-11-7-14(2)8-12-18/h5-12,23-25H,1-4H3/b20-15-,21-16+,22-19-.
What are the key properties of N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide?
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 465.56 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 136734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).