4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide

C15H21FN2O4S — CID 78856177

IUPAC4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21FN2O4S/c1-11(19)10-17-15(20)12-5-6-13(16)14(9-12)23(21,22)18-7-3-2-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H,17,20)
InChIKeyPRBNEULVVNMMRY-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.11
Rot. Bonds5

About 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 78856177) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID78856177
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C15H21FN2O4S/c1-11(19)10-17-15(20)12-5-6-13(16)14(9-12)23(21,22)18-7-3-2-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H,17,20)
InChIKeyPRBNEULVVNMMRY-UHFFFAOYSA-N
XLogP1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
methyl 4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]benzoate
CID 37028211
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55610726
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-fluoro-N-[3-(1-phenylethoxy)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46596849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide (CID 78856177) is 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide is CC(O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PRBNEULVVNMMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-11(19)10-17-15(20)12-5-6-13(16)14(9-12)23(21,22)18-7-3-2-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78856177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).