3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

C11H16ClN3O3S — CID 54992999

IUPAC3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14)
InChIKeyWIMPTTVAKIXJQU-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.49
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 54992999) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID54992999
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14)
InChIKeyWIMPTTVAKIXJQU-UHFFFAOYSA-N
XLogP1.49
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.49
H-Bond Donors ≤ 52
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 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide 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

3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910621
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
3-[(3-bromophenyl)sulfonyl-ethylamino]propanethioamide
CID 54992881
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872
3-chloro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 54999331
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (CID 54992999) is 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is WIMPTTVAKIXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-2-15(7-6-11(13)14-16)19(17,18)10-5-3-4-9(12)8-10/h3-5,8,16H,2,6-7H2,1H3,(H2,13,14).
What are the key properties of 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 305.79 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).