N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C18H25FN2O3S — CID 27241165

IUPACN-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2F)CC1
InChIInChI=1S/C18H25FN2O3S/c1-13-8-10-21(11-9-13)25(23,24)17-12-14(6-7-16(17)19)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyGGPZJNOWHTXRBZ-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.92
Rot. Bonds4

About N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 27241165) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID27241165
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC NameN-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2F)CC1
InChIInChI=1S/C18H25FN2O3S/c1-13-8-10-21(11-9-13)25(23,24)17-12-14(6-7-16(17)19)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyGGPZJNOWHTXRBZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 27241165) is N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2F)CC1.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GGPZJNOWHTXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-13-8-10-21(11-9-13)25(23,24)17-12-14(6-7-16(17)19)18(22)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 368.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 27241165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).