N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide

C22H28N2O5S — CID 649081

IUPACN-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17-9-11-19(12-10-17)29-16-18(25)15-23-30(27,28)21-8-4-3-7-20(21)22(26)24-13-5-2-6-14-24/h3-4,7-12,18,23,25H,2,5-6,13-16H2,1H3
InChIKeyMHBBVOYIKNPPIB-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.34
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide

N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 649081) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID649081
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17-9-11-19(12-10-17)29-16-18(25)15-23-30(27,28)21-8-4-3-7-20(21)22(26)24-13-5-2-6-14-24/h3-4,7-12,18,23,25H,2,5-6,13-16H2,1H3
InChIKeyMHBBVOYIKNPPIB-UHFFFAOYSA-N
XLogP2.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide (CID 649081) is N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(OCC(O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is MHBBVOYIKNPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17-9-11-19(12-10-17)29-16-18(25)15-23-30(27,28)21-8-4-3-7-20(21)22(26)24-13-5-2-6-14-24/h3-4,7-12,18,23,25H,2,5-6,13-16H2,1H3.
What are the key properties of N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide?
N-[2-hydroxy-3-(4-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 432.54 g/mol, XLogP of 2.34, 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-methylphenoxy)propyl]-2-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 649081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).