4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C15H25ClN2O4S — CID 119968401

IUPAC4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-20-9-10-21-14-4-6-15(7-5-14)22(18,19)17-12-13-3-2-8-16-11-13;/h4-7,13,16-17H,2-3,8-12H2,1H3;1H
InChIKeyIWJNTSMPDKIWFN-UHFFFAOYSA-N
MW364.90 g/mol
LogP1.41
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119968401) has the molecular formula C15H25ClN2O4S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119968401
Molecular FormulaC15H25ClN2O4S
Molecular Weight364.90 g/mol
Exact Mass364.12
IUPAC Name4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-20-9-10-21-14-4-6-15(7-5-14)22(18,19)17-12-13-3-2-8-16-11-13;/h4-7,13,16-17H,2-3,8-12H2,1H3;1H
InChIKeyIWJNTSMPDKIWFN-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
CID 106024417
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
4-(3-methylbutyl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968622
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 119968401) is 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is COCCOc1ccc(S(=O)(=O)NCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is IWJNTSMPDKIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S.ClH/c1-20-9-10-21-14-4-6-15(7-5-14)22(18,19)17-12-13-3-2-8-16-11-13;/h4-7,13,16-17H,2-3,8-12H2,1H3;1H.
What are the key properties of 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119968401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).