2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide

C13H19N3O3S — CID 105361608

IUPAC2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(NS(=O)(=O)C2CCCC2)cc1)=N/O
InChIInChI=1S/C13H19N3O3S/c14-13(15-17)9-10-5-7-11(8-6-10)16-20(18,19)12-3-1-2-4-12/h5-8,12,16-17H,1-4,9H2,(H2,14,15)
InChIKeyIFKRMPFFTQCWIV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.66
Rot. Bonds5

About 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide

2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide (PubChem CID 105361608) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
PubChem CID105361608
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1ccc(NS(=O)(=O)C2CCCC2)cc1)=N/O
InChIInChI=1S/C13H19N3O3S/c14-13(15-17)9-10-5-7-11(8-6-10)16-20(18,19)12-3-1-2-4-12/h5-8,12,16-17H,1-4,9H2,(H2,14,15)
InChIKeyIFKRMPFFTQCWIV-UHFFFAOYSA-N
XLogP1.66
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide 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

4'-Methyldodecane-1-sulfonanilide
CID 20576485
2-(4-Aminophenyl)ethanesulfonamide;hydrochloride
CID 6602853
1-(4-Aminophenyl)methanesulfonamide
CID 10821407
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
CID 2746515
2-(4-Amino-phenyl)-ethanesulfonic acid amide
CID 2337425
N-(4-butylphenyl)-2-methylpropane-1-sulfonamide
CID 2852452
[4-(Amino(hydroxyimino)methyl)phenyl](methylsulfonyl)amine
CID 9581100
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] decane-1-sulfonate
CID 90676853
N-[2-Fluoro-4-(N-hydroxyethanimidoyl)phenyl]methanesulfonamide
CID 71418418
3-fluoro-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
CID 129299799
3-fluoro-N'-hydroxy-4-(methanesulfinamido)benzenecarboximidamide
CID 129299800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide (CID 105361608) is 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide is N/C(Cc1ccc(NS(=O)(=O)C2CCCC2)cc1)=N/O.
What is the InChIKey of 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide?
The InChIKey is IFKRMPFFTQCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-13(15-17)9-10-5-7-11(8-6-10)16-20(18,19)12-3-1-2-4-12/h5-8,12,16-17H,1-4,9H2,(H2,14,15).
What are the key properties of 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide?
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide has a molecular weight of 297.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 105361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).