3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

C14H21FN2O3S — CID 16887454

IUPAC3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-17-7-5-11(6-8-17)10-16-21(18,19)12-3-4-14(20-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyBFFUZWWDXKMCAZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.45
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887454) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887454
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-17-7-5-11(6-8-17)10-16-21(18,19)12-3-4-14(20-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyBFFUZWWDXKMCAZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887454) is 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is BFFUZWWDXKMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-17-7-5-11(6-8-17)10-16-21(18,19)12-3-4-14(20-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).