(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium

C13H20N4O5S — CID 17052295

IUPAC(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium
SMILESCO/N=[N+](\[O-])CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N4O5S/c1-11-4-6-12(7-5-11)23(20,21)15-9-3-8-14-13(18)10-17(19)16-22-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,18)/b17-16-
InChIKeyIWWARAACOMWBEX-MSUUIHNZSA-N
MW344.39 g/mol
LogP0.30
Rot. Bonds9

About (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium

(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium (PubChem CID 17052295) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium
PubChem CID17052295
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium
SMILESCO/N=[N+](\[O-])CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N4O5S/c1-11-4-6-12(7-5-11)23(20,21)15-9-3-8-14-13(18)10-17(19)16-22-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,18)/b17-16-
InChIKeyIWWARAACOMWBEX-MSUUIHNZSA-N
XLogP0.30
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
methyl (2S)-3-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propylamino]butanoate
CID 126840612
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
(3R)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,1-dioxothiolane-3-carboxamide
CID 99940159
5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide
CID 74245279
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 131939568
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762

Frequently Asked Questions

What is the IUPAC name of (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium?
The IUPAC name of (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium (CID 17052295) is (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium.
What is the SMILES notation for (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium?
The canonical SMILES for (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium is CO/N=[N+](\[O-])CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium?
The InChIKey is IWWARAACOMWBEX-MSUUIHNZSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-11-4-6-12(7-5-11)23(20,21)15-9-3-8-14-13(18)10-17(19)16-22-2/h4-7,15H,3,8-10H2,1-2H3,(H,14,18)/b17-16-.
What are the key properties of (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium?
(Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium has a molecular weight of 344.39 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-methoxyimino-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]-2-oxoethyl]-oxidoazanium is sourced from PubChem (CID 17052295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).