3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C13H19FN2O3S — CID 106995675

IUPAC3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1F
InChIInChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)11-3-4-13(19-2)12(14)8-11/h3-4,8-10,15-16H,5-7H2,1-2H3
InChIKeyYKZBXWLMSYFZCU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.25
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide

3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 106995675) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID106995675
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1F
InChIInChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)11-3-4-13(19-2)12(14)8-11/h3-4,8-10,15-16H,5-7H2,1-2H3
InChIKeyYKZBXWLMSYFZCU-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 106995675) is 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is YKZBXWLMSYFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)11-3-4-13(19-2)12(14)8-11/h3-4,8-10,15-16H,5-7H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.25, 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-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 106995675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).