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

C10H14BrN3O3S — CID 76928514

IUPAC2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-7(10(12)13-15)14(2)18(16,17)9-5-3-4-8(11)6-9/h3-7,15H,1-2H3,(H2,12,13)
InChIKeyKCVXYLACWBVWDH-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.20
Rot. Bonds4

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

2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76928514) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76928514
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-7(10(12)13-15)14(2)18(16,17)9-5-3-4-8(11)6-9/h3-7,15H,1-2H3,(H2,12,13)
InChIKeyKCVXYLACWBVWDH-UHFFFAOYSA-N
XLogP1.20
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.20
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-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928201
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
2-[methyl-(3-methylphenyl)sulfonylamino]propanoic acid
CID 62627691
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2,5-dibromo-N-methylbenzamide
CID 114375237
3-[(4-bromophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54991645

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (CID 76928514) is 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is KCVXYLACWBVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-7(10(12)13-15)14(2)18(16,17)9-5-3-4-8(11)6-9/h3-7,15H,1-2H3,(H2,12,13).
What are the key properties of 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 336.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).