1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine

C14H16FNO3S — CID 128580754

IUPAC1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C14H16FNO3S/c1-14(15)7-3-8-16(10-14)20(17,18)12-5-2-4-11-6-9-19-13(11)12/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyITZGYCIXNMSBJJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.95
Rot. Bonds2

About 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine

1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine (PubChem CID 128580754) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
PubChem CID128580754
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C14H16FNO3S/c1-14(15)7-3-8-16(10-14)20(17,18)12-5-2-4-11-6-9-19-13(11)12/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyITZGYCIXNMSBJJ-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide
CID 154746564
1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide
CID 128571218
1-(1-benzofuran-7-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068400
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 107390980
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenol
CID 107393856
2-[5-(3-fluoro-3-methylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]acetic acid
CID 146130959
9-isoquinolin-5-ylsulfonyl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 167980397
1-(3-fluoro-3-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 167878919
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088155
(3S)-1-(2,4-difluorophenyl)sulfonyl-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071426
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208
3-methyl-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 63135546

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine (CID 128580754) is 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine is CC1(F)CCCN(S(=O)(=O)c2cccc3ccoc23)C1.
What is the InChIKey of 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine?
The InChIKey is ITZGYCIXNMSBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-14(15)7-3-8-16(10-14)20(17,18)12-5-2-4-11-6-9-19-13(11)12/h2,4-6,9H,3,7-8,10H2,1H3.
What are the key properties of 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine?
1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine has a molecular weight of 297.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 128580754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).