N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide

C14H23N2O5PS — CID 11760221

IUPACN-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(C)/C=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N2O5PS/c1-5-20-22(17,21-6-2)13(4)11-15-16-23(18,19)14-9-7-12(3)8-10-14/h7-11,13,16H,5-6H2,1-4H3/b15-11+
InChIKeyAWHRYOUTAQOBDS-RVDMUPIBSA-N
MW362.39 g/mol
LogP2.91
Rot. Bonds9

About N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide

N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide (PubChem CID 11760221) has the molecular formula C14H23N2O5PS and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
PubChem CID11760221
Molecular FormulaC14H23N2O5PS
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC NameN-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(C)/C=N/NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H23N2O5PS/c1-5-20-22(17,21-6-2)13(4)11-15-16-23(18,19)14-9-7-12(3)8-10-14/h7-11,13,16H,5-6H2,1-4H3/b15-11+
InChIKeyAWHRYOUTAQOBDS-RVDMUPIBSA-N
XLogP2.91
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(E)-[(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexylidene]amino]benzenesulfonamide
CID 170858151
4-methyl-N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzenesulfonamide
CID 11476152
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
ethylperoxy-[(2E)-2-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-oxophosphanium
CID 58914660
4-methyl-N-[(E)-[4-(propan-2-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 170774931
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632
1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
1,1-bis(diethoxyphosphoryl)-N-[(4-methylphenyl)methyl]methanamine
CID 5325126
4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide
CID 166436835
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
CID 92527840

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide (CID 11760221) is N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide is CCOP(=O)(OCC)C(C)/C=N/NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is AWHRYOUTAQOBDS-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H23N2O5PS/c1-5-20-22(17,21-6-2)13(4)11-15-16-23(18,19)14-9-7-12(3)8-10-14/h7-11,13,16H,5-6H2,1-4H3/b15-11+.
What are the key properties of N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11760221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).