4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 119964352

IUPAC4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-2-3-4-12-21-15-7-9-16(10-8-15)22(19,20)18-14-6-5-11-17-13-14;/h7-10,14,17-18H,2-6,11-13H2,1H3;1H
InChIKeyZODUSGITFGDIMP-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.71
Rot. Bonds8

About 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964352) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964352
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCCCCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-2-3-4-12-21-15-7-9-16(10-8-15)22(19,20)18-14-6-5-11-17-13-14;/h7-10,14,17-18H,2-6,11-13H2,1H3;1H
InChIKeyZODUSGITFGDIMP-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964352) is 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is CCCCCOc1ccc(S(=O)(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is ZODUSGITFGDIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-2-3-4-12-21-15-7-9-16(10-8-15)22(19,20)18-14-6-5-11-17-13-14;/h7-10,14,17-18H,2-6,11-13H2,1H3;1H.
What are the key properties of 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).