N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide

C12H20N4O4S — CID 114816568

IUPACN'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide
SMILESCC(C)CNS(=O)(=O)Nc1cccc(OC/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O4S/c1-9(2)7-14-21(18,19)16-10-4-3-5-11(6-10)20-8-12(13)15-17/h3-6,9,14,16-17H,7-8H2,1-2H3,(H2,13,15)
InChIKeyBKWLVDZFHDJLDM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.71
Rot. Bonds8

About N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide

N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide (PubChem CID 114816568) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide
PubChem CID114816568
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide
SMILESCC(C)CNS(=O)(=O)Nc1cccc(OC/C(N)=N/O)c1
InChIInChI=1S/C12H20N4O4S/c1-9(2)7-14-21(18,19)16-10-4-3-5-11(6-10)20-8-12(13)15-17/h3-6,9,14,16-17H,7-8H2,1-2H3,(H2,13,15)
InChIKeyBKWLVDZFHDJLDM-UHFFFAOYSA-N
XLogP0.71
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.71
H-Bond Donors ≤ 54
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-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854
2-[4-(ethylsulfamoylamino)phenoxy]-N'-hydroxyethanimidamide
CID 114812273
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
CID 76953556
2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
CID 81330665
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 76930127
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 76983796
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide (CID 114816568) is N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide is CC(C)CNS(=O)(=O)Nc1cccc(OC/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide?
The InChIKey is BKWLVDZFHDJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9(2)7-14-21(18,19)16-10-4-3-5-11(6-10)20-8-12(13)15-17/h3-6,9,14,16-17H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide?
N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide has a molecular weight of 316.38 g/mol, XLogP of 0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide is sourced from PubChem (CID 114816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).