N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide

C11H16N2O3S — CID 5396969

IUPACN,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1/C=N\O
InChIInChI=1S/C11H16N2O3S/c1-3-13(4-2)17(15,16)11-8-6-5-7-10(11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9-
InChIKeyPCLYEPMGOCHOCT-XFXZXTDPSA-N
MW256.33 g/mol
LogP1.53
Rot. Bonds5

About N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide

N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide (PubChem CID 5396969) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide
PubChem CID5396969
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1/C=N\O
InChIInChI=1S/C11H16N2O3S/c1-3-13(4-2)17(15,16)11-8-6-5-7-10(11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9-
InChIKeyPCLYEPMGOCHOCT-XFXZXTDPSA-N
XLogP1.53
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide (CID 5396969) is N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccccc1/C=N\O.
What is the InChIKey of N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide?
The InChIKey is PCLYEPMGOCHOCT-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-13(4-2)17(15,16)11-8-6-5-7-10(11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9-.
What are the key properties of N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide?
N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(Z)-hydroxyiminomethyl]benzenesulfonamide is sourced from PubChem (CID 5396969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).