N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide

C18H20FNO4S — CID 2809592

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C18H20FNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3
InChIKeyXDENQSDYGBPMGL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.96
Rot. Bonds6

About N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 2809592) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID2809592
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C18H20FNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3
InChIKeyXDENQSDYGBPMGL-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide (CID 2809592) is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is XDENQSDYGBPMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-23-17-11-8-14(12-18(17)24-15-4-2-3-5-15)20-25(21,22)16-9-6-13(19)7-10-16/h6-12,15,20H,2-5H2,1H3.
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2809592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).