N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

C23H25NO5S — CID 2945278

IUPACN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)COc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-18-12-14-20(15-13-18)29-17-19(25)16-24(22-10-6-7-11-23(22)28-2)30(26,27)21-8-4-3-5-9-21/h3-15,19,25H,16-17H2,1-2H3
InChIKeyNBEQLLCQSXMZBR-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.64
Rot. Bonds9

About N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 2945278) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID2945278
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)COc1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-18-12-14-20(15-13-18)29-17-19(25)16-24(22-10-6-7-11-23(22)28-2)30(26,27)21-8-4-3-5-9-21/h3-15,19,25H,16-17H2,1-2H3
InChIKeyNBEQLLCQSXMZBR-UHFFFAOYSA-N
XLogP3.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 2945278) is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(CC(O)COc1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is NBEQLLCQSXMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-18-12-14-20(15-13-18)29-17-19(25)16-24(22-10-6-7-11-23(22)28-2)30(26,27)21-8-4-3-5-9-21/h3-15,19,25H,16-17H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 427.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2945278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).