4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide

C20H24FNO4S — CID 27450995

IUPAC4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2ccc(F)c(C)c2)CCOCC1
InChIInChI=1S/C20H24FNO4S/c1-15-13-16(7-8-18(15)21)27(23,24)22-14-20(9-11-26-12-10-20)17-5-3-4-6-19(17)25-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyJHAWFVFWARSJLA-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.17
Rot. Bonds6

About 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide

4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide (PubChem CID 27450995) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
PubChem CID27450995
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2ccc(F)c(C)c2)CCOCC1
InChIInChI=1S/C20H24FNO4S/c1-15-13-16(7-8-18(15)21)27(23,24)22-14-20(9-11-26-12-10-20)17-5-3-4-6-19(17)25-2/h3-8,13,22H,9-12,14H2,1-2H3
InChIKeyJHAWFVFWARSJLA-UHFFFAOYSA-N
XLogP3.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
3-chloro-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 52756763
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 167840472
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
4-[[(4-fluoro-3-methylphenyl)sulfonylamino]methyl]oxane-4-carboxylic acid
CID 132971348
4-[[1-(2-methoxyphenyl)cyclopentyl]methylsulfamoyl]benzamide
CID 86829566
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 86839334
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide (CID 27450995) is 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide is COc1ccccc1C1(CNS(=O)(=O)c2ccc(F)c(C)c2)CCOCC1.
What is the InChIKey of 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is JHAWFVFWARSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-15-13-16(7-8-18(15)21)27(23,24)22-14-20(9-11-26-12-10-20)17-5-3-4-6-19(17)25-2/h3-8,13,22H,9-12,14H2,1-2H3.
What are the key properties of 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 27450995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).