5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

C17H28ClFN2O5S — CID 120896300

IUPAC5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C17H27FN2O5S.ClH/c1-23-9-10-25-15-4-3-14(18)11-16(15)26(21,22)20-12-17(13-24-2)5-7-19-8-6-17;/h3-4,11,19-20H,5-10,12-13H2,1-2H3;1H
InChIKeyVFVGRFIEDNUGGQ-UHFFFAOYSA-N
MW426.94 g/mol
LogP1.57
Rot. Bonds10

About 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (PubChem CID 120896300) has the molecular formula C17H28ClFN2O5S and a molecular weight of 426.94 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
PubChem CID120896300
Molecular FormulaC17H28ClFN2O5S
Molecular Weight426.94 g/mol
Exact Mass426.14
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C17H27FN2O5S.ClH/c1-23-9-10-25-15-4-3-14(18)11-16(15)26(21,22)20-12-17(13-24-2)5-7-19-8-6-17;/h3-4,11,19-20H,5-10,12-13H2,1-2H3;1H
InChIKeyVFVGRFIEDNUGGQ-UHFFFAOYSA-N
XLogP1.57
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (CID 120896300) is 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is COCCOc1ccc(F)cc1S(=O)(=O)NCC1(COC)CCNCC1.Cl.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is VFVGRFIEDNUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O5S.ClH/c1-23-9-10-25-15-4-3-14(18)11-16(15)26(21,22)20-12-17(13-24-2)5-7-19-8-6-17;/h3-4,11,19-20H,5-10,12-13H2,1-2H3;1H.
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).