5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide

C11H16BrN3O3S — CID 77036740

IUPAC5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)c1cccc(Br)c1)=NO
InChIInChI=1S/C11H16BrN3O3S/c12-9-4-3-5-10(8-9)19(17,18)14-7-2-1-6-11(13)15-16/h3-5,8,14,16H,1-2,6-7H2,(H2,13,15)
InChIKeyMJIKEZHITOBJOU-UHFFFAOYSA-N
MW350.24 g/mol
LogP1.64
Rot. Bonds7

About 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide

5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide (PubChem CID 77036740) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
PubChem CID77036740
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)c1cccc(Br)c1)=NO
InChIInChI=1S/C11H16BrN3O3S/c12-9-4-3-5-10(8-9)19(17,18)14-7-2-1-6-11(13)15-16/h3-5,8,14,16H,1-2,6-7H2,(H2,13,15)
InChIKeyMJIKEZHITOBJOU-UHFFFAOYSA-N
XLogP1.64
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
3-bromo-N-(3-cyanopropyl)benzenesulfonamide
CID 62665683
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
N'-hydroxy-5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanimidamide
CID 77036940
3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2551997
4-[(2-chlorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76948260

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide (CID 77036740) is 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide is NC(CCCCNS(=O)(=O)c1cccc(Br)c1)=NO.
What is the InChIKey of 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The InChIKey is MJIKEZHITOBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c12-9-4-3-5-10(8-9)19(17,18)14-7-2-1-6-11(13)15-16/h3-5,8,14,16H,1-2,6-7H2,(H2,13,15).
What are the key properties of 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide?
5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide has a molecular weight of 350.24 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77036740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).