3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

C15H24ClFN2O4S — CID 120896550

IUPAC3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C15H23FN2O4S.ClH/c1-21-11-15(5-7-17-8-6-15)10-18-23(19,20)12-3-4-14(22-2)13(16)9-12;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyAGQMMDUPVOXHGB-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.55
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride

3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (PubChem CID 120896550) has the molecular formula C15H24ClFN2O4S and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
PubChem CID120896550
Molecular FormulaC15H24ClFN2O4S
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC Name3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(OC)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C15H23FN2O4S.ClH/c1-21-11-15(5-7-17-8-6-15)10-18-23(19,20)12-3-4-14(22-2)13(16)9-12;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyAGQMMDUPVOXHGB-UHFFFAOYSA-N
XLogP1.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896352
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride (CID 120896550) is 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(OC)c(F)c2)CCNCC1.Cl.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is AGQMMDUPVOXHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S.ClH/c1-21-11-15(5-7-17-8-6-15)10-18-23(19,20)12-3-4-14(22-2)13(16)9-12;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride?
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).