N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide

C19H29FN2O3S — CID 16887749

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1F
InChIInChI=1S/C19H29FN2O3S/c1-2-25-19-8-7-17(13-18(19)20)26(23,24)21-14-15-9-11-22(12-10-15)16-5-3-4-6-16/h7-8,13,15-16,21H,2-6,9-12,14H2,1H3
InChIKeyKEDXRLDGYVFOCT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.16
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide (PubChem CID 16887749) has the molecular formula C19H29FN2O3S and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide
PubChem CID16887749
Molecular FormulaC19H29FN2O3S
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1F
InChIInChI=1S/C19H29FN2O3S/c1-2-25-19-8-7-17(13-18(19)20)26(23,24)21-14-15-9-11-22(12-10-15)16-5-3-4-6-16/h7-8,13,15-16,21H,2-6,9-12,14H2,1H3
InChIKeyKEDXRLDGYVFOCT-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide (CID 16887749) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2CCN(C3CCCC3)CC2)cc1F.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The InChIKey is KEDXRLDGYVFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3S/c1-2-25-19-8-7-17(13-18(19)20)26(23,24)21-14-15-9-11-22(12-10-15)16-5-3-4-6-16/h7-8,13,15-16,21H,2-6,9-12,14H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide has a molecular weight of 384.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4-ethoxy-3-fluorobenzenesulfonamide is sourced from PubChem (CID 16887749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).