3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide

C9H13Cl2N3O3S2 — CID 55101688

IUPAC3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2N3O3S2/c1-2-5(3-8(12)13-15)14-19(16,17)6-4-7(10)18-9(6)11/h4-5,14-15H,2-3H2,1H3,(H2,12,13)
InChIKeyKZDQGCZOAQIIHP-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.25
Rot. Bonds6

About 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide

3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide (PubChem CID 55101688) has the molecular formula C9H13Cl2N3O3S2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
PubChem CID55101688
Molecular FormulaC9H13Cl2N3O3S2
Molecular Weight346.26 g/mol
Exact Mass344.98
IUPAC Name3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H13Cl2N3O3S2/c1-2-5(3-8(12)13-15)14-19(16,17)6-4-7(10)18-9(6)11/h4-5,14-15H,2-3H2,1H3,(H2,12,13)
InChIKeyKZDQGCZOAQIIHP-UHFFFAOYSA-N
XLogP2.25
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 103089471
2,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 61247523
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanimidamide
CID 103415690
3-[(3,4-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 76947675
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
CID 64993790
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
N'-hydroxy-3-(1H-pyrazol-4-ylsulfonylamino)pentanimidamide
CID 76947951
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide (CID 55101688) is 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide?
The InChIKey is KZDQGCZOAQIIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O3S2/c1-2-5(3-8(12)13-15)14-19(16,17)6-4-7(10)18-9(6)11/h4-5,14-15H,2-3H2,1H3,(H2,12,13).
What are the key properties of 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide?
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide has a molecular weight of 346.26 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 55101688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).