4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C21H32FNO4S — CID 25023323

IUPAC4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCO1
InChIInChI=1S/C21H32FNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2
InChIKeyOUKBBTCMTSACHT-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.71
Rot. Bonds3

About 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023323) has the molecular formula C21H32FNO4S and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023323
Molecular FormulaC21H32FNO4S
Molecular Weight413.56 g/mol
Exact Mass413.20
IUPAC Name4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCO1
InChIInChI=1S/C21H32FNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2
InChIKeyOUKBBTCMTSACHT-UHFFFAOYSA-N
XLogP4.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
CID 25023505
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023387
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023323) is 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCO1.
What is the InChIKey of 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is OUKBBTCMTSACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2.
What are the key properties of 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 413.56 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).