3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

C11H16BrN3O3S — CID 54992954

IUPAC3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-2-15(8-7-11(13)14-16)19(17,18)10-6-4-3-5-9(10)12/h3-6,16H,2,7-8H2,1H3,(H2,13,14)
InChIKeyQCCNERBQXOPBAY-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.60
Rot. Bonds6

About 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide

3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 54992954) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID54992954
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC/C(N)=N/O)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-2-15(8-7-11(13)14-16)19(17,18)10-6-4-3-5-9(10)12/h3-6,16H,2,7-8H2,1H3,(H2,13,14)
InChIKeyQCCNERBQXOPBAY-UHFFFAOYSA-N
XLogP1.60
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.60
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-[(2-bromophenyl)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

2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
3-[(3-chlorophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992999
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
3-[ethyl-(5-methylthiophen-2-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992517
3-[(2-chlorophenyl)sulfonyl-ethylamino]propanethioamide
CID 54992834
3-[ethyl(2-phenylpropylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690726
3-[(3-bromo-2-fluorophenyl)sulfonyl-ethylamino]propanoic acid
CID 166293268
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
N'-hydroxy-3-[(2-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 77077386
N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
CID 114795590

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide (CID 54992954) is 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CC/C(N)=N/O)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is QCCNERBQXOPBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-2-15(8-7-11(13)14-16)19(17,18)10-6-4-3-5-9(10)12/h3-6,16H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide?
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 350.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54992954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).