3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

C15H20ClNO4S — CID 5058062

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C15H20ClNO4S/c16-13-5-3-12(4-6-13)11-22(19,20)9-7-15(18)17-10-14-2-1-8-21-14/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyMEBHGGASJBRLSR-UHFFFAOYSA-N
MW345.85 g/mol
LogP1.94
Rot. Bonds7

About 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 5058062) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID5058062
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C15H20ClNO4S/c16-13-5-3-12(4-6-13)11-22(19,20)9-7-15(18)17-10-14-2-1-8-21-14/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyMEBHGGASJBRLSR-UHFFFAOYSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide (CID 5058062) is 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MEBHGGASJBRLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c16-13-5-3-12(4-6-13)11-22(19,20)9-7-15(18)17-10-14-2-1-8-21-14/h3-6,14H,1-2,7-11H2,(H,17,18).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 345.85 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 5058062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).