N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide

C11H17N3O4S — CID 76938646

IUPACN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
SMILESCOCCS(=O)(=O)Nc1ccc(CC(N)=NO)cc1
InChIInChI=1S/C11H17N3O4S/c1-18-6-7-19(16,17)14-10-4-2-9(3-5-10)8-11(12)13-15/h2-5,14-15H,6-8H2,1H3,(H2,12,13)
InChIKeyBNDNEGJSFKZPJV-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.36
Rot. Bonds7

About N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide

N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide (PubChem CID 76938646) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
PubChem CID76938646
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
SMILESCOCCS(=O)(=O)Nc1ccc(CC(N)=NO)cc1
InChIInChI=1S/C11H17N3O4S/c1-18-6-7-19(16,17)14-10-4-2-9(3-5-10)8-11(12)13-15/h2-5,14-15H,6-8H2,1H3,(H2,12,13)
InChIKeyBNDNEGJSFKZPJV-UHFFFAOYSA-N
XLogP0.36
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-[4-(tert-butylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 77017156
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
CID 79001403
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593806
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
CID 55057847

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide (CID 76938646) is N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide is COCCS(=O)(=O)Nc1ccc(CC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide?
The InChIKey is BNDNEGJSFKZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-18-6-7-19(16,17)14-10-4-2-9(3-5-10)8-11(12)13-15/h2-5,14-15H,6-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide?
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide has a molecular weight of 287.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide is sourced from PubChem (CID 76938646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).