3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C12H18ClFN2O3S — CID 119960633

IUPAC3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1F.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyJLOFEDBSAOHTJH-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.29
Rot. Bonds4

About 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960633) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960633
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1F.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H
InChIKeyJLOFEDBSAOHTJH-UHFFFAOYSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
3-methoxy-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960491
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960633) is 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCNCC2)cc1F.Cl.
What is the InChIKey of 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is JLOFEDBSAOHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S.ClH/c1-18-12-3-2-10(8-11(12)13)19(16,17)15-9-4-6-14-7-5-9;/h2-3,8-9,14-15H,4-7H2,1H3;1H.
What are the key properties of 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).