(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide

C15H23NO4S — CID 164642707

IUPAC(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide
SMILESCO[C@@H](CS(=O)(=O)Nc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C15H23NO4S/c1-20-15(13-4-2-3-5-13)11-21(18,19)16-14-8-6-12(10-17)7-9-14/h6-9,13,15-17H,2-5,10-11H2,1H3/t15-/m0/s1
InChIKeyCOVZTICOVOOLOO-HNNXBMFYSA-N
MW313.42 g/mol
LogP2.13
Rot. Bonds7

About (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide

(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide (PubChem CID 164642707) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide
PubChem CID164642707
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide
SMILESCO[C@@H](CS(=O)(=O)Nc1ccc(CO)cc1)C1CCCC1
InChIInChI=1S/C15H23NO4S/c1-20-15(13-4-2-3-5-13)11-21(18,19)16-14-8-6-12(10-17)7-9-14/h6-9,13,15-17H,2-5,10-11H2,1H3/t15-/m0/s1
InChIKeyCOVZTICOVOOLOO-HNNXBMFYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide?
The IUPAC name of (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide (CID 164642707) is (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide is CO[C@@H](CS(=O)(=O)Nc1ccc(CO)cc1)C1CCCC1.
What is the InChIKey of (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide?
The InChIKey is COVZTICOVOOLOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-15(13-4-2-3-5-13)11-21(18,19)16-14-8-6-12(10-17)7-9-14/h6-9,13,15-17H,2-5,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide?
(2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-[4-(hydroxymethyl)phenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 164642707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).