N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide

C17H25FN2O2S — CID 110752098

IUPACN-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c1-13-12-14(18)6-7-17(13)23(21,22)19-15-8-10-20(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,19H,2-5,8-11H2,1H3
InChIKeyNUDMSMIIMYOQIG-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.82
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 110752098) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID110752098
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H25FN2O2S/c1-13-12-14(18)6-7-17(13)23(21,22)19-15-8-10-20(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,19H,2-5,8-11H2,1H3
InChIKeyNUDMSMIIMYOQIG-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 110752098) is N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NUDMSMIIMYOQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-13-12-14(18)6-7-17(13)23(21,22)19-15-8-10-20(11-9-15)16-4-2-3-5-16/h6-7,12,15-16,19H,2-5,8-11H2,1H3.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 340.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 110752098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).