3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H16BrN3O3S — CID 54991645

IUPAC3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccc(Br)cc1)/C(N)=N/O
InChIInChI=1S/C11H16BrN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-5-3-9(12)4-6-10/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyFOFVDLPYNIAMJD-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.45
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54991645) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54991645
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccc(Br)cc1)/C(N)=N/O
InChIInChI=1S/C11H16BrN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-5-3-9(12)4-6-10/h3-6,8,16H,7H2,1-2H3,(H2,13,14)
InChIKeyFOFVDLPYNIAMJD-UHFFFAOYSA-N
XLogP1.45
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.45
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'}

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Related Compounds

3-[(4-bromophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910755
3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910949
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
4-bromo-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060305
methyl 3-[(4-carbamoylphenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61059514
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N'-hydroxy-2-methyl-3-[methyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanimidamide
CID 76933289
4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 3463211
(3S)-4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 7045231

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 54991645) is 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)S(=O)(=O)c1ccc(Br)cc1)/C(N)=N/O.
What is the InChIKey of 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FOFVDLPYNIAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-8(11(13)14-16)7-15(2)19(17,18)10-5-3-9(12)4-6-10/h3-6,8,16H,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 350.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54991645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).