2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide

C11H16FN3O3S — CID 43567163

IUPAC2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(12)6-9(10)13/h3-4,6,15H,2,5,7,13H2,1H3,(H,14,16)
InChIKeyVFHPZLSLEZTCFQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.21
Rot. Bonds6

About 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide

2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide (PubChem CID 43567163) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
PubChem CID43567163
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(12)6-9(10)13/h3-4,6,15H,2,5,7,13H2,1H3,(H,14,16)
InChIKeyVFHPZLSLEZTCFQ-UHFFFAOYSA-N
XLogP0.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
CID 64899777
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 103077297
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
2-[(5-amino-1H-pyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809282
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-amino-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308765
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide (CID 43567163) is 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
The InChIKey is VFHPZLSLEZTCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-2-5-14-11(16)7-15-19(17,18)10-4-3-8(12)6-9(10)13/h3-4,6,15H,2,5,7,13H2,1H3,(H,14,16).
What are the key properties of 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide?
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide has a molecular weight of 289.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 43567163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).