N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide

C17H23FN2O3S — CID 27261803

IUPACN-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C17H23FN2O3S/c18-16-9-8-14(24(22,23)20-10-4-1-5-11-20)12-15(16)17(21)19-13-6-2-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyRUBKHNUQFOQGKD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide

N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 27261803) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID27261803
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C17H23FN2O3S/c18-16-9-8-14(24(22,23)20-10-4-1-5-11-20)12-15(16)17(21)19-13-6-2-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21)
InChIKeyRUBKHNUQFOQGKD-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 15993056
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4300054

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide (CID 27261803) is N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RUBKHNUQFOQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-16-9-8-14(24(22,23)20-10-4-1-5-11-20)12-15(16)17(21)19-13-6-2-3-7-13/h8-9,12-13H,1-7,10-11H2,(H,19,21).
What are the key properties of N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27261803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).