2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

C11H16FN3O3S — CID 76927441

IUPAC2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FN3O3S/c1-2-7-15(8-11(13)14-16)19(17,18)10-5-3-9(12)4-6-10/h3-6,16H,2,7-8H2,1H3,(H2,13,14)
InChIKeyMQQGQDUZQASSSM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.97
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide

2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (PubChem CID 76927441) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
PubChem CID76927441
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FN3O3S/c1-2-7-15(8-11(13)14-16)19(17,18)10-5-3-9(12)4-6-10/h3-6,16H,2,7-8H2,1H3,(H2,13,14)
InChIKeyMQQGQDUZQASSSM-UHFFFAOYSA-N
XLogP0.97
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.97
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-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N'-hydroxy-2-[propyl(pyridin-3-ylsulfonyl)amino]ethanimidamide
CID 76927443
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
2-[(5-ethylthiophen-2-yl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927493
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
2-[(2,5-dibromophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927504
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide (CID 76927441) is 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
The InChIKey is MQQGQDUZQASSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-7-15(8-11(13)14-16)19(17,18)10-5-3-9(12)4-6-10/h3-6,16H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide?
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide has a molecular weight of 289.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).