3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide

C12H16FN3O3S — CID 76911739

IUPAC3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)c1ccccc1F)=NO
InChIInChI=1S/C12H16FN3O3S/c13-10-3-1-2-4-11(10)20(18,19)16(9-5-6-9)8-7-12(14)15-17/h1-4,9,17H,5-8H2,(H2,14,15)
InChIKeyGPOXEALAIHTJSB-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.12
Rot. Bonds6

About 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide

3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 76911739) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID76911739
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESNC(CCN(C1CC1)S(=O)(=O)c1ccccc1F)=NO
InChIInChI=1S/C12H16FN3O3S/c13-10-3-1-2-4-11(10)20(18,19)16(9-5-6-9)8-7-12(14)15-17/h1-4,9,17H,5-8H2,(H2,14,15)
InChIKeyGPOXEALAIHTJSB-UHFFFAOYSA-N
XLogP1.12
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.12
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

N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
3-[cyclopropyl(2-phenylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690874
2-(aminomethyl)-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102861412
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
N-(2-bromoethyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
CID 80667364
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide (CID 76911739) is 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide is NC(CCN(C1CC1)S(=O)(=O)c1ccccc1F)=NO.
What is the InChIKey of 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is GPOXEALAIHTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-10-3-1-2-4-11(10)20(18,19)16(9-5-6-9)8-7-12(14)15-17/h1-4,9,17H,5-8H2,(H2,14,15).
What are the key properties of 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 301.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).