N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide

C17H16N2O4S — CID 139030180

IUPACN-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide
SMILES[H]/N=C(NC(=O)c1ccccc1)/C(=C(\C)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-12(20)15(24(22,23)14-10-6-3-7-11-14)16(18)19-17(21)13-8-4-2-5-9-13/h2-11,20H,1H3,(H2,18,19,21)/b15-12-
InChIKeyFYXCDQCGAMKMNJ-QINSGFPZSA-N
MW344.39 g/mol
LogP2.66
Rot. Bonds4

About N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide

N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide (PubChem CID 139030180) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide
PubChem CID139030180
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide
SMILES[H]/N=C(NC(=O)c1ccccc1)/C(=C(\C)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-12(20)15(24(22,23)14-10-6-3-7-11-14)16(18)19-17(21)13-8-4-2-5-9-13/h2-11,20H,1H3,(H2,18,19,21)/b15-12-
InChIKeyFYXCDQCGAMKMNJ-QINSGFPZSA-N
XLogP2.66
TPSA107.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide?
The IUPAC name of N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide (CID 139030180) is N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide.
What is the SMILES notation for N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide?
The canonical SMILES for N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide is [H]/N=C(NC(=O)c1ccccc1)/C(=C(\C)O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide?
The InChIKey is FYXCDQCGAMKMNJ-QINSGFPZSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12(20)15(24(22,23)14-10-6-3-7-11-14)16(18)19-17(21)13-8-4-2-5-9-13/h2-11,20H,1H3,(H2,18,19,21)/b15-12-.
What are the key properties of N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide?
N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide is sourced from PubChem (CID 139030180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).