5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide

C18H24ClFN2O4S — CID 167488669

IUPAC5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)C1CCNCC1)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C18H24ClFN2O4S/c19-15-9-14(16(20)10-17(15)26-11-12-3-1-2-4-12)18(23)22-27(24,25)13-5-7-21-8-6-13/h9-10,12-13,21H,1-8,11H2,(H,22,23)
InChIKeyIZVIPKJCMUWWTH-UHFFFAOYSA-N
MW418.92 g/mol
LogP2.86
Rot. Bonds6

About 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide

5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide (PubChem CID 167488669) has the molecular formula C18H24ClFN2O4S and a molecular weight of 418.92 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide
PubChem CID167488669
Molecular FormulaC18H24ClFN2O4S
Molecular Weight418.92 g/mol
Exact Mass418.11
IUPAC Name5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)C1CCNCC1)c1cc(Cl)c(OCC2CCCC2)cc1F
InChIInChI=1S/C18H24ClFN2O4S/c19-15-9-14(16(20)10-17(15)26-11-12-3-1-2-4-12)18(23)22-27(24,25)13-5-7-21-8-6-13/h9-10,12-13,21H,1-8,11H2,(H,22,23)
InChIKeyIZVIPKJCMUWWTH-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[3-[(3R)-pyrrolidin-3-yl]oxyazetidin-1-yl]sulfonylbenzamide
CID 167488867
N-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]sulfonyl]-5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzamide
CID 167488713
N-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzamide
CID 171761882
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-(1,3-oxazinan-3-ylsulfonyl)benzamide
CID 175616364
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[4-[(3S)-pyrrolidin-3-yl]oxypiperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175859046
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-(spiro[3.5]nonan-7-ylmethoxy)benzamide
CID 86702851
methyl 2-[[5-chloro-4-(cyclopentylmethoxy)-2-fluorobenzoyl]amino]-2-phenylacetate
CID 167488516
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[4-(pyrimidin-5-ylmethoxy)phenyl]sulfonylbenzamide
CID 167488653
5-chloro-4-(cyclopentylmethoxy)-N-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]sulfonyl-2-fluorobenzamide
CID 167488521
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]benzamide
CID 167488773
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-[4-[(3-methoxyphenyl)methoxy]phenyl]sulfonylbenzamide
CID 167488646

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide?
The IUPAC name of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide (CID 167488669) is 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide?
The canonical SMILES for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide is O=C(NS(=O)(=O)C1CCNCC1)c1cc(Cl)c(OCC2CCCC2)cc1F.
What is the InChIKey of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide?
The InChIKey is IZVIPKJCMUWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O4S/c19-15-9-14(16(20)10-17(15)26-11-12-3-1-2-4-12)18(23)22-27(24,25)13-5-7-21-8-6-13/h9-10,12-13,21H,1-8,11H2,(H,22,23).
What are the key properties of 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide?
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide has a molecular weight of 418.92 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-piperidin-4-ylsulfonylbenzamide is sourced from PubChem (CID 167488669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).