4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide

C19H24N2O3S — CID 113091949

IUPAC4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3S/c1-19(2,18-9-5-6-14-20-18)21-25(22,23)17-12-10-16(11-13-17)24-15-7-3-4-8-15/h5-6,9-15,21H,3-4,7-8H2,1-2H3
InChIKeyORTJJTKHVAQLNB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.62
Rot. Bonds6

About 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide

4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 113091949) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID113091949
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3S/c1-19(2,18-9-5-6-14-20-18)21-25(22,23)17-12-10-16(11-13-17)24-15-7-3-4-8-15/h5-6,9-15,21H,3-4,7-8H2,1-2H3
InChIKeyORTJJTKHVAQLNB-UHFFFAOYSA-N
XLogP3.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide (CID 113091949) is 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(OC2CCCC2)cc1)c1ccccn1.
What is the InChIKey of 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is ORTJJTKHVAQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,18-9-5-6-14-20-18)21-25(22,23)17-12-10-16(11-13-17)24-15-7-3-4-8-15/h5-6,9-15,21H,3-4,7-8H2,1-2H3.
What are the key properties of 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide?
4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(2-pyridin-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).