N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide

C11H13ClN6O4S — CID 174829905

IUPACN'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide
SMILESO=S(=O)=NCCNc1cnn(/C(=N/Cc2cc(Cl)co2)NO)c1
InChIInChI=1S/C11H13ClN6O4S/c12-8-3-10(22-7-8)5-14-11(17-19)18-6-9(4-15-18)13-1-2-16-23(20)21/h3-4,6-7,13,19H,1-2,5H2,(H,14,17)
InChIKeyNSNYPGPUBRNEHJ-UHFFFAOYSA-N
MW360.78 g/mol
LogP0.99
Rot. Bonds6

About N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide

N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide (PubChem CID 174829905) has the molecular formula C11H13ClN6O4S and a molecular weight of 360.78 g/mol. Its IUPAC name is N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide
PubChem CID174829905
Molecular FormulaC11H13ClN6O4S
Molecular Weight360.78 g/mol
Exact Mass360.04
IUPAC NameN'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide
SMILESO=S(=O)=NCCNc1cnn(/C(=N/Cc2cc(Cl)co2)NO)c1
InChIInChI=1S/C11H13ClN6O4S/c12-8-3-10(22-7-8)5-14-11(17-19)18-6-9(4-15-18)13-1-2-16-23(20)21/h3-4,6-7,13,19H,1-2,5H2,(H,14,17)
InChIKeyNSNYPGPUBRNEHJ-UHFFFAOYSA-N
XLogP0.99
TPSA134.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-4-(benzylamino)-N-hydroxypyrazole-1-carboximidamide
CID 174801420
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide
CID 163532374
2-[4-[(5-chloro-2-fluorophenyl)methylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017147
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[(3-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223669
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-[[5-[(4-chloropyrazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55073517

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide?
The IUPAC name of N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide (CID 174829905) is N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide.
What is the SMILES notation for N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide?
The canonical SMILES for N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide is O=S(=O)=NCCNc1cnn(/C(=N/Cc2cc(Cl)co2)NO)c1.
What is the InChIKey of N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide?
The InChIKey is NSNYPGPUBRNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O4S/c12-8-3-10(22-7-8)5-14-11(17-19)18-6-9(4-15-18)13-1-2-16-23(20)21/h3-4,6-7,13,19H,1-2,5H2,(H,14,17).
What are the key properties of N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide?
N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide has a molecular weight of 360.78 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorofuran-2-yl)methyl]-N-hydroxy-4-[2-(sulfonylamino)ethylamino]pyrazole-1-carboximidamide is sourced from PubChem (CID 174829905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).