N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide

C17H21NO5S — CID 2812345

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO5S/c1-13-3-9-17(10-4-13)24(20,21)18-11-14(19)12-23-16-7-5-15(22-2)6-8-16/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyTYSCEWJGMUHINR-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.72
Rot. Bonds8

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide (PubChem CID 2812345) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
PubChem CID2812345
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO5S/c1-13-3-9-17(10-4-13)24(20,21)18-11-14(19)12-23-16-7-5-15(22-2)6-8-16/h3-10,14,18-19H,11-12H2,1-2H3
InChIKeyTYSCEWJGMUHINR-UHFFFAOYSA-N
XLogP1.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide 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-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide (CID 2812345) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide is COc1ccc(OCC(O)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide?
The InChIKey is TYSCEWJGMUHINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-13-3-9-17(10-4-13)24(20,21)18-11-14(19)12-23-16-7-5-15(22-2)6-8-16/h3-10,14,18-19H,11-12H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2812345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).