2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

C15H19FN2O3S — CID 15993056

IUPAC2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyHRDOMRWESFEFSV-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.92
Rot. Bonds5

About 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide

2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (PubChem CID 15993056) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
PubChem CID15993056
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C15H19FN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19)
InChIKeyHRDOMRWESFEFSV-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 9442255
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706661
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4300054
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3236436
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylacetamide
CID 4828148
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3337199
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248850
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide (CID 15993056) is 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
The InChIKey is HRDOMRWESFEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-2-8-17-15(19)13-11-12(6-7-14(13)16)22(20,21)18-9-4-3-5-10-18/h2,6-7,11H,1,3-5,8-10H2,(H,17,19).
What are the key properties of 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide?
2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide has a molecular weight of 326.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 15993056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).