2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

C11H15Br2N3O3S — CID 76927504

IUPAC2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-2-5-16(7-11(14)15-17)20(18,19)10-6-8(12)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H2,14,15)
InChIKeyDRLBLNCIDAKLGM-UHFFFAOYSA-N
MW429.13 g/mol
LogP2.36
Rot. Bonds6

About 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (PubChem CID 76927504) has the molecular formula C11H15Br2N3O3S and a molecular weight of 429.13 g/mol. Its IUPAC name is 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
PubChem CID76927504
Molecular FormulaC11H15Br2N3O3S
Molecular Weight429.13 g/mol
Exact Mass426.92
IUPAC Name2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2N3O3S/c1-2-5-16(7-11(14)15-17)20(18,19)10-6-8(12)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H2,14,15)
InChIKeyDRLBLNCIDAKLGM-UHFFFAOYSA-N
XLogP2.36
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.36
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

2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
4-[(2-amino-2-oxoethyl)-propylsulfamoyl]-3-bromobenzoic acid
CID 136544396
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927493
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
methyl 2-[(4-bromo-2-fluorophenyl)sulfonyl-propylamino]acetate
CID 116528004
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (CID 76927504) is 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The InChIKey is DRLBLNCIDAKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O3S/c1-2-5-16(7-11(14)15-17)20(18,19)10-6-8(12)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H2,14,15).
What are the key properties of 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide has a molecular weight of 429.13 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).