N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide

C18H20FNO3S — CID 27451425

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-16-8-6-15(7-9-16)18(10-12-23-13-11-18)14-20-24(21,22)17-4-2-1-3-5-17/h1-9,20H,10-14H2
InChIKeyLZFDQDQFUCDAAF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.85
Rot. Bonds5

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide (PubChem CID 27451425) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
PubChem CID27451425
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H20FNO3S/c19-16-8-6-15(7-9-16)18(10-12-23-13-11-18)14-20-24(21,22)17-4-2-1-3-5-17/h1-9,20H,10-14H2
InChIKeyLZFDQDQFUCDAAF-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451467
4-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450259
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-nitrobenzenesulfonamide
CID 42269725
2-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-methylbenzenesulfonamide
CID 27451528
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide (CID 27451425) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
The InChIKey is LZFDQDQFUCDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-16-8-6-15(7-9-16)18(10-12-23-13-11-18)14-20-24(21,22)17-4-2-1-3-5-17/h1-9,20H,10-14H2.
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 27451425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).