N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride

C21H29ClN2O3S — CID 6603630

IUPACN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H28N2O3S.ClH/c1-18-10-12-21(13-11-18)27(25,26)23(19-8-4-2-5-9-19)17-20(24)16-22-14-6-3-7-15-22;/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3;1H
InChIKeyBDEPJWAUOLDCRC-UHFFFAOYSA-N
MW424.99 g/mol
LogP3.46
Rot. Bonds7

About N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride

N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride (PubChem CID 6603630) has the molecular formula C21H29ClN2O3S and a molecular weight of 424.99 g/mol. Its IUPAC name is N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
PubChem CID6603630
Molecular FormulaC21H29ClN2O3S
Molecular Weight424.99 g/mol
Exact Mass424.16
IUPAC NameN-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H28N2O3S.ClH/c1-18-10-12-21(13-11-18)27(25,26)23(19-8-4-2-5-9-19)17-20(24)16-22-14-6-3-7-15-22;/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3;1H
InChIKeyBDEPJWAUOLDCRC-UHFFFAOYSA-N
XLogP3.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride (CID 6603630) is N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(CC(O)CN2CCCCC2)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is BDEPJWAUOLDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S.ClH/c1-18-10-12-21(13-11-18)27(25,26)23(19-8-4-2-5-9-19)17-20(24)16-22-14-6-3-7-15-22;/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3;1H.
What are the key properties of N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride?
N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 424.99 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 6603630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).