2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide

C13H20FN3O3S — CID 103299629

IUPAC2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H20FN3O3S/c1-3-7-15-12(18)10-17(9-4-2)21(19,20)13-11(14)6-5-8-16-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,15,18)
InChIKeyHSYKROUNHKVTPC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.15
Rot. Bonds8

About 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide

2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide (PubChem CID 103299629) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
PubChem CID103299629
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H20FN3O3S/c1-3-7-15-12(18)10-17(9-4-2)21(19,20)13-11(14)6-5-8-16-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,15,18)
InChIKeyHSYKROUNHKVTPC-UHFFFAOYSA-N
XLogP1.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
CID 60959125
3-hydrazinyl-N,N-dipropylpyridine-2-sulfonamide
CID 103300870
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
2-[(2-carbamothioyl-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 106596962

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide (CID 103299629) is 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide?
The InChIKey is HSYKROUNHKVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-3-7-15-12(18)10-17(9-4-2)21(19,20)13-11(14)6-5-8-16-13/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide?
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 103299629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).