N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C22H30N2O4S — CID 648178

IUPACN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-18-6-12-22(13-7-18)29(26,27)24(19-8-10-21(28-2)11-9-19)17-20(25)16-23-14-4-3-5-15-23/h6-13,20,25H,3-5,14-17H2,1-2H3
InChIKeyQFEWTZBNFSWNKE-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.05
Rot. Bonds8

About N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 648178) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID648178
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N2O4S/c1-18-6-12-22(13-7-18)29(26,27)24(19-8-10-21(28-2)11-9-19)17-20(25)16-23-14-4-3-5-15-23/h6-13,20,25H,3-5,14-17H2,1-2H3
InChIKeyQFEWTZBNFSWNKE-UHFFFAOYSA-N
XLogP3.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.05
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-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 648178) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is QFEWTZBNFSWNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-18-6-12-22(13-7-18)29(26,27)24(19-8-10-21(28-2)11-9-19)17-20(25)16-23-14-4-3-5-15-23/h6-13,20,25H,3-5,14-17H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 648178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).