N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide

C17H27NO4S — CID 122243861

IUPACN-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)(c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27NO4S/c1-2-3-13-23(20,21)18-14-17(19,15-7-5-4-6-8-15)16-9-11-22-12-10-16/h4-8,16,18-19H,2-3,9-14H2,1H3
InChIKeyUDAJWLXJISQQKD-UHFFFAOYSA-N
MW341.47 g/mol
LogP2.02
Rot. Bonds8

About N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide

N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide (PubChem CID 122243861) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
PubChem CID122243861
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC NameN-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)(c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27NO4S/c1-2-3-13-23(20,21)18-14-17(19,15-7-5-4-6-8-15)16-9-11-22-12-10-16/h4-8,16,18-19H,2-3,9-14H2,1H3
InChIKeyUDAJWLXJISQQKD-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide 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 N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide (CID 122243861) is N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(O)(c1ccccc1)C1CCOCC1.
What is the InChIKey of N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide?
The InChIKey is UDAJWLXJISQQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-2-3-13-23(20,21)18-14-17(19,15-7-5-4-6-8-15)16-9-11-22-12-10-16/h4-8,16,18-19H,2-3,9-14H2,1H3.
What are the key properties of N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide?
N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide has a molecular weight of 341.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(oxan-4-yl)-2-phenylethyl]butane-1-sulfonamide is sourced from PubChem (CID 122243861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).