4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C22H34FNO4S — CID 25023443

IUPAC4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H34FNO4S/c1-18-12-15-20(24-29(26,27)21-16-13-19(23)14-17-21)10-8-6-4-2-3-5-7-9-11-22(25)28-18/h13-14,16-18,20,24H,2-12,15H2,1H3
InChIKeyBTPWPTDTHAUEIT-UHFFFAOYSA-N
MW427.58 g/mol
LogP5.10
Rot. Bonds3

About 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023443) has the molecular formula C22H34FNO4S and a molecular weight of 427.58 g/mol. Its IUPAC name is 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023443
Molecular FormulaC22H34FNO4S
Molecular Weight427.58 g/mol
Exact Mass427.22
IUPAC Name4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(F)cc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H34FNO4S/c1-18-12-15-20(24-29(26,27)21-16-13-19(23)14-17-21)10-8-6-4-2-3-5-7-9-11-22(25)28-18/h13-14,16-18,20,24H,2-12,15H2,1H3
InChIKeyBTPWPTDTHAUEIT-UHFFFAOYSA-N
XLogP5.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(5S)-5-[(4-fluorophenyl)sulfonylamino]cyclopenten-1-yl]heptanoic acid
CID 44273538
N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023258
4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023259
4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023260
4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023323
2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023324
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023386
4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023387
4-chloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023388
2-chloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023444
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023448
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
CID 53382571

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023443) is 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(F)cc2)CCCCCCCCCCC(=O)O1.
What is the InChIKey of 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is BTPWPTDTHAUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO4S/c1-18-12-15-20(24-29(26,27)21-16-13-19(23)14-17-21)10-8-6-4-2-3-5-7-9-11-22(25)28-18/h13-14,16-18,20,24H,2-12,15H2,1H3.
What are the key properties of 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 427.58 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).