N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide

C12H19N3O4S — CID 77038573

IUPACN'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
SMILESCOc1ccc(S(=O)(=O)NC(C(N)=NO)C(C)C)cc1
InChIInChI=1S/C12H19N3O4S/c1-8(2)11(12(13)14-16)15-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,15-16H,1-3H3,(H2,13,14)
InChIKeyFWEYPDRSYHESAV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.74
Rot. Bonds6

About N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide

N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide (PubChem CID 77038573) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
PubChem CID77038573
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
SMILESCOc1ccc(S(=O)(=O)NC(C(N)=NO)C(C)C)cc1
InChIInChI=1S/C12H19N3O4S/c1-8(2)11(12(13)14-16)15-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,15-16H,1-3H3,(H2,13,14)
InChIKeyFWEYPDRSYHESAV-UHFFFAOYSA-N
XLogP0.74
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.74
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'}

Analyze N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 2104038
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741
N-[2-(ethylamino)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119508078
4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
CID 56527365
[2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55928067
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
CID 57196287

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide (CID 77038573) is N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide is COc1ccc(S(=O)(=O)NC(C(N)=NO)C(C)C)cc1.
What is the InChIKey of N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide?
The InChIKey is FWEYPDRSYHESAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)11(12(13)14-16)15-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,15-16H,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide?
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide has a molecular weight of 301.37 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide is sourced from PubChem (CID 77038573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).