5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C14H20FNO4S — CID 71686927

IUPAC5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C14H20FNO4S/c1-14(5-7-20-8-6-14)10-16-21(17,18)13-9-11(15)3-4-12(13)19-2/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyFIOUJONUQMYVST-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.93
Rot. Bonds5

About 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686927) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686927
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC1(C)CCOCC1
InChIInChI=1S/C14H20FNO4S/c1-14(5-7-20-8-6-14)10-16-21(17,18)13-9-11(15)3-4-12(13)19-2/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyFIOUJONUQMYVST-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686927) is 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCC1(C)CCOCC1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is FIOUJONUQMYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-14(5-7-20-8-6-14)10-16-21(17,18)13-9-11(15)3-4-12(13)19-2/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).